2-[4-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]phenolate

Systemtic Name: 2-[4-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]phenolate Openeye Name: 2-[4-[(1R)-2-nitro-1-(p-tolyl)ethyl]-5-oxo-1,2-dihydropyrazol-3-yl]phenolate CAS Name: 2-[4-[(1R)-1-(4-methylphenyl)-2-nitroethyl]-5-oxo-1,2-dihydropyrazol-3-yl]phenolate IUPAC Name: 2-[4-[(1R)-1-(4-methylphenyl)-2-nitroethyl]-5-oxo-1,2-dihydropyrazol-3-yl]phenolate Traditional Name: 2-[5-keto-4-[(1R)-2-nitro-1-(p-tolyl)ethyl]-3-pyrazolin-3-yl]phenolate Formula: C18H16N3O4- MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3[O-]

InChI

InChI=1S/C18H17N3O4/c1-11-6-8-12(9-7-11)14(10-21(24)25)16-17(19-20-18(16)23)13-4-2-3-5-15(13)22/h2-9,14,22H,10H2,1H3,(H2,19,20,23)/p-1/t14-/m1/s1