[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O6/c1-27-17-8-7-14(22(25)26)11-15(17)19(24)28-12-18(23)21-10-9-16(20-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3