[2-(2-methylphenyl)-5-propyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(2-methylphenyl)-5-propyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(o-tolyl)-5-propyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(2-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2-methylphenyl)-5-propylpyrazol-3-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(o-tolyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C21H21N3O4/c1-4-7-17-13-20(23(22-17)18-9-6-5-8-14(18)2)28-21(25)16-11-10-15(3)19(12-16)24(26)27/h5-6,8-13H,4,7H2,1-3H3