5-(2-hydroxyphenyl)-4-(2-nitro-1-phenyl-ethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(2-hydroxyphenyl)-4-(2-nitro-1-phenyl-ethyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(2-hydroxyphenyl)-4-(2-nitro-1-phenyl-ethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(2-hydroxyphenyl)-4-(2-nitro-1-phenylethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2-hydroxyphenyl)-4-(2-nitro-1-phenylethyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(2-hydroxyphenyl)-4-(2-nitro-1-phenyl-ethyl)-3-pyrazolin-3-one Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c21-14-9-5-4-8-12(14)16-15(17(22)19-18-16)13(10-20(23)24)11-6-2-1-3-7-11/h1-9,13,21H,10H2,(H2,18,19,22)