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

Systemtic Name: propan-2-yl 3-butyl-6-[3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-6-[3-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-6-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H29ClN4O6 MolecularWeight: 528.98466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O6/c1-5-6-12-30-16(4)22(25(33)37-15(2)3)23(29-26(30)34)17-8-7-9-18(13-17)28-24(32)20-11-10-19(31(35)36)14-21(20)27/h7-11,13-15,23H,5-6,12H2,1-4H3,(H,28,32)(H,29,34)