3-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1H-indeno[1,2-c]pyrazol-2-yl]cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1H-indeno[1,2-c]pyrazol-2-yl]cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1H-indeno[1,2-c]pyrazol-2-yl]cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1H-indeno[1,2-c]pyrazol-2-yl]-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[3-(3-anilino-2-cyano-3-oxopropanoyl)-1H-indeno[1,2-c]pyrazol-2-yl]cyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-[3-(3-anilino-2-cyano-3-keto-propanoyl)-1H-indeno[1,2-c]pyrazol-2-yl]cyclohexa-1,4-diene-1-carboxylic acid Formula: C27H20N4O4 MolecularWeight: 464.4721

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1C(=O)O)N2C(=C3C=C4C=CC=CC4=C3N2)C(=O)C(C#N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C=CC(C=C1C(=O)O)N2C(=C3C=C4C=CC=CC4=C3N2)C(=O)C(C#N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H20N4O4/c28-15-22(26(33)29-18-9-2-1-3-10-18)25(32)24-21-14-16-7-4-5-12-20(16)23(21)30-31(24)19-11-6-8-17(13-19)27(34)35/h1-7,9-14,19,22,30H,8H2,(H,29,33)(H,34,35)