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

Systemtic Name: [4-(3,4-dimethyl-5-nitro-2-oxidanylidene-1,6-dihydropyrimidin-6-yl)-2-ethoxy-phenyl] ethanoate Openeye Name: [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)-2-ethoxyphenyl] ester IUPAC Name: [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)-2-ethoxyphenyl] acetate Traditional Name: acetic acid [2-ethoxy-4-(2-keto-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-6-yl)phenyl] ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C)C)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C)C)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C16H19N3O6/c1-5-24-13-8-11(6-7-12(13)25-10(3)20)14-15(19(22)23)9(2)18(4)16(21)17-14/h6-8,14H,5H2,1-4H3,(H,17,21)