5-methyl-4-[2-nitro-1-(2,4,6-trimethoxyphenyl)ethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[2-nitro-1-(2,4,6-trimethoxyphenyl)ethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[2-nitro-1-(2,4,6-trimethoxyphenyl)ethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[2-nitro-1-(2,4,6-trimethoxyphenyl)ethyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[2-nitro-1-(2,4,6-trimethoxyphenyl)ethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-[2-nitro-1-(2,4,6-trimethoxyphenyl)ethyl]-2-phenyl-3-pyrazolin-3-one Formula: C21H23N3O6 MolecularWeight: 413.42382

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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=C(C=C(C=C3OC)OC)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=C(C=C(C=C3OC)OC)OC

InChI

InChI=1S/C21H23N3O6/c1-13-19(21(25)24(22-13)14-8-6-5-7-9-14)16(12-23(26)27)20-17(29-3)10-15(28-2)11-18(20)30-4/h5-11,16,22H,12H2,1-4H3