ethyl 3-(2-nitrophenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-(2-nitrophenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-keto-5-(2-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=C(NNC1=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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