[2-[1-(4-chlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [2-[1-(4-chlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [2-[1-(4-chlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[1-(4-chlorophenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(4-chlorophenyl)ethyl]-5-methylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[1-(4-chlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O4/c1-12-11-18(22(21-12)13(2)14-3-7-16(20)8-4-14)27-19(24)15-5-9-17(10-6-15)23(25)26/h3-11,13H,1-2H3