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

Systemtic Name: 4-[1-(2-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1-(2-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[1-(2-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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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=C3Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN3O3/c1-12-17(18(23)22(20-12)13-7-3-2-4-8-13)15(11-21(24)25)14-9-5-6-10-16(14)19/h2-10,15,20H,11H2,1H3