4-[[5-(4-chloranyl-3,5-dimethyl-phenoxy)pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-(4-chloranyl-3,5-dimethyl-phenoxy)pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-(4-chloro-3,5-dimethyl-phenoxy)-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-(4-chloro-3,5-dimethylphenoxy)pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(4-chloro-3,5-dimethyl-phenoxy)-2-pyridyl]amino]-4-keto-butyrate Formula: C17H16ClN2O4- MolecularWeight: 347.77294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H17ClN2O4/c1-10-7-13(8-11(2)17(10)18)24-12-3-4-14(19-9-12)20-15(21)5-6-16(22)23/h3-4,7-9H,5-6H2,1-2H3,(H,22,23)(H,19,20,21)/p-1