[2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2,3-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-ethylpyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H19N3O4/c1-4-16-12-19(22(21-16)18-10-5-7-13(2)14(18)3)27-20(24)15-8-6-9-17(11-15)23(25)26/h5-12H,4H2,1-3H3