ethyl 3-(4-methoxy-2-nitro-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-(4-methoxy-2-nitro-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(4-methoxy-2-nitro-phenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(4-methoxy-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxy-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-keto-5-(4-methoxy-2-nitro-phenyl)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c1-3-22-13(18)10-11(14-15-12(10)17)8-5-4-7(21-2)6-9(8)16(19)20/h4-6H,3H2,1-2H3,(H2,14,15,17)