(1,3-diphenylpyrazol-4-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C24H19N3O4 MolecularWeight: 413.42536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O4/c1-17-12-13-19(14-22(17)27(29)30)24(28)31-16-20-15-26(21-10-6-3-7-11-21)25-23(20)18-8-4-2-5-9-18/h2-15H,16H2,1H3