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

Systemtic Name: [2-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [2-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl] ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O4/c1-12-10-17(21(20-12)11-13-2-6-15(19)7-3-13)26-18(23)14-4-8-16(9-5-14)22(24)25/h2-10H,11H2,1H3