methyl 4-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-6-propan-2-yl-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-6-propan-2-yl-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-isopropyl-4-(4-methoxy-3-nitro-phenyl)-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxy-3-nitrophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-3-nitrophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylate Traditional Name: 6-isopropyl-2-keto-4-(4-methoxy-3-nitro-phenyl)-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=O)N1)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=NC(=O)N1)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O6/c1-8(2)13-12(15(20)25-4)14(18-16(21)17-13)9-5-6-11(24-3)10(7-9)19(22)23/h5-8H,1-4H3,(H,17,18,21)