dimethyl 3-(4-bromophenyl)-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 3-(4-bromophenyl)-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 3-(4-bromophenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate CAS Name: 3-(4-bromophenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-bromophenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate Traditional Name: 3-(4-bromophenyl)-2-keto-6-(4-nitrophenyl)-1,6-dihydropyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C20H16BrN3O7 MolecularWeight: 490.26094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H16BrN3O7/c1-30-18(25)15-16(11-3-7-14(8-4-11)24(28)29)22-20(27)23(17(15)19(26)31-2)13-9-5-12(21)6-10-13/h3-10,16H,1-2H3,(H,22,27)