3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid

Systemtic Name: 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid Openeye Name: 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid IUPAC Name: 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid Formula: C27H18N4O4 MolecularWeight: 462.45622

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)O)C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)O)C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H18N4O4/c28-15-22(26(33)29-18-7-3-1-4-8-18)25(32)23-21-13-16-11-12-17(27(34)35)14-20(16)24(21)31(30-23)19-9-5-2-6-10-19/h1-12,14,22H,13H2,(H,29,33)(H,34,35)