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

Systemtic Name: 4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1-(3-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1-(3-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-12-17(18(23)22(20-12)15-8-3-2-4-9-15)16(11-21(24)25)13-6-5-7-14(19)10-13/h2-10,16,20H,11H2,1H3