ethyl 2-(3-nitrophenyl)-4-oxidanylidene-3H-pyrazole-5-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(CC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(CC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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