ethyl 6-[[(2-chlorophenyl)methylamino]methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(2-chlorophenyl)methylamino]methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(2-chlorophenyl)methylamino]methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2-chlorophenyl)methylamino]methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(2-chlorophenyl)methylamino]methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(2-chlorobenzyl)amino]methyl]-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4O5/c1-2-31-20(27)18-17(12-23-11-14-6-3-4-9-16(14)22)24-21(28)25-19(18)13-7-5-8-15(10-13)26(29)30/h3-10,19,23H,2,11-12H2,1H3,(H2,24,25,28)