4-[(2-chlorophenyl)methylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: 4-[(2-chlorophenyl)methylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: 4-[(2-chlorophenyl)methylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[(2-chlorophenyl)methylamino]-1-ethyl-3-pyrazolecarboxylate IUPAC Name: 4-[(2-chlorophenyl)methylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(2-chlorobenzyl)amino]-1-ethyl-pyrazole-3-carboxylate Formula: C13H13ClN3O2- MolecularWeight: 278.71422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H14ClN3O2/c1-2-17-8-11(12(16-17)13(18)19)15-7-9-5-3-4-6-10(9)14/h3-6,8,15H,2,7H2,1H3,(H,18,19)/p-1