(phenylmethyl) 3,4-dimethyl-6-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 3,4-dimethyl-6-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 3,4-dimethyl-6-(4-methyl-3-nitro-phenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(4-methyl-3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-dimethyl-6-(4-methyl-3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(4-methyl-3-nitro-phenyl)-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-13-9-10-16(11-17(13)24(27)28)19-18(14(2)23(3)21(26)22-19)20(25)29-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,22,26)