RVN

5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid

Created:	2013-12-20
Last modified:	2014-04-15

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1 entries where RVN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of RVN

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Chemical Component Summary
Name	5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
Formula	C₁₇ H₁₁ N O₅
Molecular Weight	309.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2Nc1ccccc1/C2=C\c3ccc4OCOc4c3C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1c(ccc2OCOc12)C=C3C(=O)Nc4ccccc34
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=Cc3ccc4c(c3C(=O)O)OCO4)C(=O)N2
Canonical SMILES	CACTVS	3.385	OC(=O)c1c(ccc2OCOc12)\C=C3\C(=O)Nc4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2
InChI	InChI	1.03	InChI=1S/C17H11NO5/c19-16-11(10-3-1-2-4-12(10)18-16)7-9-5-6-13-15(23-8-22-13)14(9)17(20)21/h1-7H,8H2,(H,18,19)(H,20,21)/b11-7+
InChIKey	InChI	1.03	GQWXHPXXCYSHJK-YRNVUSSQSA-N

Related Resource References

Resource Name	Reference
PubChem	72551595

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