4-[(4-carboxylato-2-methyl-pyrazol-3-yl)carbonyl-[(2-chlorophenyl)methyl]amino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: 4-[(4-carboxylato-2-methyl-pyrazol-3-yl)carbonyl-[(2-chlorophenyl)methyl]amino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: 4-[(4-carboxylato-2-methyl-pyrazole-3-carbonyl)-[(2-chlorophenyl)methyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-carboxylato-2-methyl-3-pyrazolyl)-oxomethyl]-[(2-chlorophenyl)methyl]amino]-1-ethyl-3-pyrazolecarboxylate IUPAC Name: 4-[(4-carboxylato-2-methylpyrazole-3-carbonyl)-[(2-chlorophenyl)methyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(4-carboxylato-2-methyl-pyrazole-3-carbonyl)-(2-chlorobenzyl)amino]-1-ethyl-pyrazole-3-carboxylate Formula: C19H16ClN5O5-2 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)[O-])N(CC2=CC=CC=C2Cl)C(=O)C3=C(C=NN3C)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)[O-])N(CC2=CC=CC=C2Cl)C(=O)C3=C(C=NN3C)C(=O)[O-]

InChI

InChI=1S/C19H18ClN5O5/c1-3-24-10-14(15(22-24)19(29)30)25(9-11-6-4-5-7-13(11)20)17(26)16-12(18(27)28)8-21-23(16)2/h4-8,10H,3,9H2,1-2H3,(H,27,28)(H,29,30)/p-2