ethyl 3-butyl-6-[3-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-6-[3-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(4-methyl-3-nitro-benzoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(4-methyl-3-nitrobenzoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-6-[3-[(4-methyl-3-nitro-benzoyl)amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H32N4O6 MolecularWeight: 556.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H32N4O6/c1-4-6-17-34-28(21-11-8-7-9-12-21)26(30(37)41-5-2)27(33-31(34)38)22-13-10-14-24(18-22)32-29(36)23-16-15-20(3)25(19-23)35(39)40/h7-16,18-19,27H,4-6,17H2,1-3H3,(H,32,36)(H,33,38)