5-[(5-cyano-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[(5-cyano-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(5-cyano-2-oxo-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(5-cyano-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(5-cyano-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(5-cyano-2-keto-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C17H14N3O3+ MolecularWeight: 308.31136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)C#N

InChI

InChI=1S/C17H13N3O3/c1-9-13(19-10(2)16(9)17(22)23)8-20-14-4-3-11(7-18)5-12(14)6-15(20)21/h3-5,8H,6H2,1-2H3,(H,22,23)/p+1