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

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-[[(3-nitrophenyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-6-[(3-nitroanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[(3-nitroanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-[(3-nitroanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-keto-6-[(3-nitroanilino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c1-4-31-21(27)19-18(12-23-15-6-5-7-16(11-15)26(29)30)24-22(28)25-20(19)17-10-13(2)8-9-14(17)3/h5-11,20,23H,4,12H2,1-3H3,(H2,24,25,28)