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

Systemtic Name: 4-[1-(3-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1-(3-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1-(3-methoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1-(3-methoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[1-(3-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C19H19N3O4 MolecularWeight: 353.37186

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c1-13-18(19(23)22(20-13)15-8-4-3-5-9-15)17(12-21(24)25)14-7-6-10-16(11-14)26-2/h3-11,17,20H,12H2,1-2H3