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

Systemtic Name: propan-2-yl 3-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C22H21N3O7/c1-12(2)32-21(26)19-13(3)24(16-8-9-17-18(10-16)31-11-30-17)22(27)23-20(19)14-4-6-15(7-5-14)25(28)29/h4-10,12,20H,11H2,1-3H3,(H,23,27)