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

Systemtic Name: tert-butyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate Openeye Name: tert-butyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid tert-butyl ester Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C31H26N4O4/c1-31(2,3)39-30(38)20-15-14-19-16-24-26(28(36)25(18-32)29(37)33-21-10-6-4-7-11-21)34-35(27(24)23(19)17-20)22-12-8-5-9-13-22/h4-15,17,25H,16H2,1-3H3,(H,33,37)