3-cyanopropyl 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C16H15Cl2N3O2 MolecularWeight: 352.2152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCC#N)Cl)CC2=CC=CC=C2Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCC#N)Cl)CC2=CC=CC=C2Cl

InChI

InChI=1S/C16H15Cl2N3O2/c1-11-14(16(22)23-9-5-4-8-19)15(18)21(20-11)10-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,9-10H2,1H3