ethyl 2-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 2-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylate Traditional Name: 3-keto-1-(4-nitrophenyl)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5/c1-2-20-12(17)10-7-14(13-11(10)16)8-3-5-9(6-4-8)15(18)19/h3-7H,2H2,1H3,(H,13,16)