[2-(2-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(2-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(2-chlorophenyl)-5-isopropyl-pyrazol-3-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(2-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(2-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C19H15Cl2N3O4 MolecularWeight: 420.2461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C1=NN(C(=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H15Cl2N3O4/c1-11(2)16-10-18(23(22-16)17-6-4-3-5-14(17)20)28-19(25)13-8-7-12(24(26)27)9-15(13)21/h3-11H,1-2H3