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

Systemtic Name: methyl 6-(2-methoxy-5-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-benzyl-6-(2-methoxy-5-nitro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-methoxy-5-nitrophenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-6-(2-methoxy-5-nitrophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-2-keto-6-(2-methoxy-5-nitro-phenyl)-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])OC)C(=O)OC

InChI

InChI=1S/C21H21N3O6/c1-13-18(20(25)30-3)19(16-11-15(24(27)28)9-10-17(16)29-2)22-21(26)23(13)12-14-7-5-4-6-8-14/h4-11,19H,12H2,1-3H3,(H,22,26)