5-[2-chloranylethanoyl-[(3-methylphenyl)methyl]amino]-3-ethyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-chloranylethanoyl-[(3-methylphenyl)methyl]amino]-3-ethyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2-chloroacetyl)-(m-tolylmethyl)amino]-3-ethyl-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2-chloro-1-oxoethyl)-[(3-methylphenyl)methyl]amino]-3-ethyl-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2-chloroacetyl)-[(3-methylphenyl)methyl]amino]-3-ethyl-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2-chloroacetyl)-(3-methylbenzyl)amino]-3-ethyl-1-methyl-pyrazole-4-carboxylic acid Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)N(CC2=CC=CC(=C2)C)C(=O)CCl)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)N(CC2=CC=CC(=C2)C)C(=O)CCl)C

InChI

InChI=1S/C17H20ClN3O3/c1-4-13-15(17(23)24)16(20(3)19-13)21(14(22)9-18)10-12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3,(H,23,24)