[4-(3,4-dimethyl-5-nitro-2-oxidanylidene-1,6-dihydropyrimidin-6-yl)phenyl] benzoate

Systemtic Name: [4-(3,4-dimethyl-5-nitro-2-oxidanylidene-1,6-dihydropyrimidin-6-yl)phenyl] benzoate Openeye Name: [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] benzoate CAS Name: benzoic acid [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] ester IUPAC Name: [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(2-keto-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-6-yl)phenyl] ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-12-17(22(25)26)16(20-19(24)21(12)2)13-8-10-15(11-9-13)27-18(23)14-6-4-3-5-7-14/h3-11,16H,1-2H3,(H,20,24)