5-methyl-2-(4-nitrophenyl)-4-(phenylcarbonyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-(phenylcarbonyl)-1H-pyrazol-3-one Openeye Name: 4-benzoyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-benzoyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-benzoyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-benzoyl-5-methyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O4/c1-11-15(16(21)12-5-3-2-4-6-12)17(22)19(18-11)13-7-9-14(10-8-13)20(23)24/h2-10,18H,1H3