ethyl 3-(1,3-benzodioxol-5-yl)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-nitro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-nitro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H18ClN3O7 MolecularWeight: 459.83652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H18ClN3O7/c1-3-30-20(26)18-11(2)24(13-5-7-16-17(9-13)32-10-31-16)21(27)23-19(18)12-4-6-14(22)15(8-12)25(28)29/h4-9,19H,3,10H2,1-2H3,(H,23,27)