propan-2-yl 4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-benzyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-(4-nitrophenyl)-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-benzyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-14(2)30-21(26)19-15(3)24(13-16-7-5-4-6-8-16)22(27)23-20(19)17-9-11-18(12-10-17)25(28)29/h4-12,14,20H,13H2,1-3H3,(H,23,27)