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

Systemtic Name: tert-butyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C31H26N4O4 MolecularWeight: 518.56254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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