(3,5-dimethylphenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: (3,5-dimethylphenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (3,5-dimethylphenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid (3,5-dimethylphenyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

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