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

Systemtic Name: [4-(3,4-dimethyl-5-nitro-2-oxidanylidene-1,6-dihydropyrimidin-6-yl)phenyl] ethanoate Openeye Name: [4-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [4-(2-keto-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-6-yl)phenyl] ester Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-8-13(17(20)21)12(15-14(19)16(8)3)10-4-6-11(7-5-10)22-9(2)18/h4-7,12H,1-3H3,(H,15,19)