1,3-benzodioxol-5-ylmethyl 6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(4-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O7/c1-11-17(19(24)28-9-12-2-7-15-16(8-12)30-10-29-15)18(22-20(25)21-11)13-3-5-14(6-4-13)23(26)27/h2-8,18H,9-10H2,1H3,(H2,21,22,25)