5-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitro-ethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitro-ethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(p-tolyl)ethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitroethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitroethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(p-tolyl)ethyl]-3-pyrazolin-3-one Formula: C18H17N3O4 MolecularWeight: 339.34528

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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=C3O

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3O

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)