ethyl 4-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-6-propyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-6-propyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methyl-3-nitro-phenyl)-2-oxo-6-propyl-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-2-oxo-6-propyl-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-3-nitrophenyl)-2-oxo-6-propyl-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methyl-3-nitro-phenyl)-6-propyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=O)N1)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C(=NC(=O)N1)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H19N3O5/c1-4-6-12-14(16(21)25-5-2)15(19-17(22)18-12)11-8-7-10(3)13(9-11)20(23)24/h7-9H,4-6H2,1-3H3,(H,18,19,22)