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

Systemtic Name: ethyl 3-(3,4-dimethyl-5-nitro-2-oxidanylidene-1,6-dihydropyrimidin-6-yl)benzoate Openeye Name: ethyl 3-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)benzoate CAS Name: 3-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)benzoate Traditional Name: 3-(2-keto-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-6-yl)benzoic acid ethyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-4-23-14(19)11-7-5-6-10(8-11)12-13(18(21)22)9(2)17(3)15(20)16-12/h5-8,12H,4H2,1-3H3,(H,16,20)