ethyl 6-[[4-(methylamino)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(methylamino)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(methylamino)-3-nitro-benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(methylamino)-3-nitrophenyl]-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(methylamino)-3-nitrobenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-(methylamino)-3-nitro-benzoyl]oxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7/c1-3-32-21(28)18-16(24-22(29)25-19(18)13-7-5-4-6-8-13)12-33-20(27)14-9-10-15(23-2)17(11-14)26(30)31/h4-11,19,23H,3,12H2,1-2H3,(H2,24,25,29)