5-methyl-4-(2-nitro-1-phenyl-ethyl)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-nitro-1-phenyl-ethyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-(2-nitro-1-phenyl-ethyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(2-nitro-1-phenylethyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(2-nitro-1-phenylethyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-(2-nitro-1-phenyl-ethyl)-2-phenyl-3-pyrazolin-3-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-13-17(16(12-20(23)24)14-8-4-2-5-9-14)18(22)21(19-13)15-10-6-3-7-11-15/h2-11,16,19H,12H2,1H3