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

Systemtic Name: ethyl 3-butyl-6-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-chloro-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-chloro-3-nitrobenzoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H29ClN4O6 MolecularWeight: 577.02746

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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)Cl)[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)Cl)[N+](=O)[O-])C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H29ClN4O6/c1-3-5-16-34-27(19-10-7-6-8-11-19)25(29(37)41-4-2)26(33-30(34)38)20-12-9-13-22(17-20)32-28(36)21-14-15-23(31)24(18-21)35(39)40/h6-15,17-18,26H,3-5,16H2,1-2H3,(H,32,36)(H,33,38)