ethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate

Systemtic Name: ethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate Openeye Name: ethyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylic acid ethyl ester Formula: C29H22N4O4 MolecularWeight: 490.50938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC2=C1CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=CC2=C1CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O4/c1-2-37-29(36)21-15-9-14-20-22(21)16-23-25(32-33(26(20)23)19-12-7-4-8-13-19)27(34)24(17-30)28(35)31-18-10-5-3-6-11-18/h3-15,24H,2,16H2,1H3,(H,31,35)