4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(2,4-dichlorophenyl)methyl]-4-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]amino]-4-oxobutanoate Traditional Name: 4-[[1-(2,4-dichlorobenzyl)pyrazol-4-yl]amino]-4-keto-butyrate Formula: C14H12Cl2N3O3- MolecularWeight: 341.16938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=N2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=N2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H13Cl2N3O3/c15-10-2-1-9(12(16)5-10)7-19-8-11(6-17-19)18-13(20)3-4-14(21)22/h1-2,5-6,8H,3-4,7H2,(H,18,20)(H,21,22)/p-1