[4-(6-methyl-5-nitro-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenyl] benzoate

Systemtic Name: [4-(6-methyl-5-nitro-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenyl] benzoate Openeye Name: [4-(6-methyl-5-nitro-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl] benzoate CAS Name: benzoic acid [4-(6-methyl-5-nitro-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl] ester IUPAC Name: [4-(6-methyl-5-nitro-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(2-keto-6-methyl-5-nitro-3,4-dihydro-1H-pyrimidin-4-yl)phenyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-16(21(24)25)15(20-18(23)19-11)12-7-9-14(10-8-12)26-17(22)13-5-3-2-4-6-13/h2-10,15H,1H3,(H2,19,20,23)