5-(3-nitrophenyl)-4,4-bis(oxidanyl)-2-(phenylmethyl)pyrazol-3-one

Systemtic Name: 5-(3-nitrophenyl)-4,4-bis(oxidanyl)-2-(phenylmethyl)pyrazol-3-one Openeye Name: 2-benzyl-4,4-dihydroxy-5-(3-nitrophenyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-(phenylmethyl)-3-pyrazolone IUPAC Name: 2-benzyl-4,4-dihydroxy-5-(3-nitrophenyl)pyrazol-3-one Traditional Name: 2-benzyl-4,4-dihydroxy-5-(3-nitrophenyl)-2-pyrazolin-3-one Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])(O)O

InChI

InChI=1S/C16H13N3O5/c20-15-16(21,22)14(12-7-4-8-13(9-12)19(23)24)17-18(15)10-11-5-2-1-3-6-11/h1-9,21-22H,10H2