5-(3-nitrophenyl)-2-(phenylmethyl)pyrazole-3,4-dione

Systemtic Name: 5-(3-nitrophenyl)-2-(phenylmethyl)pyrazole-3,4-dione Openeye Name: 2-benzyl-5-(3-nitrophenyl)pyrazole-3,4-dione CAS Name: 5-(3-nitrophenyl)-2-(phenylmethyl)pyrazole-3,4-dione IUPAC Name: 2-benzyl-5-(3-nitrophenyl)pyrazole-3,4-dione Traditional Name: 2-benzyl-5-(3-nitrophenyl)-2-pyrazoline-3,4-quinone Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O4/c20-15-14(12-7-4-8-13(9-12)19(22)23)17-18(16(15)21)10-11-5-2-1-3-6-11/h1-9H,10H2