methyl 5-[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClN3O4/c1-27-17-8-3-12(9-15(17)20(26)28-2)10-22-19(25)16-11-23-24-18(16)13-4-6-14(21)7-5-13/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24)