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

Systemtic Name: 5-[(5-cyano-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(5-cyano-2-oxo-indolin-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(5-cyano-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(5-cyano-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(5-cyano-2-keto-indolin-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Formula: C15H10N3O3+ MolecularWeight: 280.2582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)[N+](=CC3=CC(=CN3)C(=O)O)C1=O

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)[N+](=CC3=CC(=CN3)C(=O)O)C1=O

InChI

InChI=1S/C15H9N3O3/c16-6-9-1-2-13-10(3-9)5-14(19)18(13)8-12-4-11(7-17-12)15(20)21/h1-4,7-8H,5H2,(H,20,21)/p+1