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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H16ClN3O7 MolecularWeight: 445.80994

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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)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O7/c1-10-17(19(25)29-2)18(11-3-5-13(21)14(7-11)24(27)28)22-20(26)23(10)12-4-6-15-16(8-12)31-9-30-15/h3-8,18H,9H2,1-2H3,(H,22,26)