(1,3-diphenylpyrazol-4-yl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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