ethyl 1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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