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

Systemtic Name: ethyl 3-butyl-6-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H27ClN4O6 MolecularWeight: 514.95808

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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)C

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)C

InChI

InChI=1S/C25H27ClN4O6/c1-4-6-12-29-15(3)21(24(32)36-5-2)22(28-25(29)33)16-8-7-9-18(13-16)27-23(31)17-10-11-19(26)20(14-17)30(34)35/h7-11,13-14,22H,4-6,12H2,1-3H3,(H,27,31)(H,28,33)