3-[[1-[(2-chloranyl-5-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[1-[(2-chloranyl-5-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(2-chloro-5-hydroxy-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[1-[(2-chloro-5-hydroxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(2-chloro-5-hydroxyphenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[1-(2-chloro-5-hydroxy-benzyl)-2-keto-3-pyridyl]carbamoylamino]propionic acid Formula: C16H16ClN3O5 MolecularWeight: 365.76834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)NC(=O)NCCC(=O)O)CC2=C(C=CC(=C2)O)Cl

Isomeric SMILES

C1=CN(C(=O)C(=C1)NC(=O)NCCC(=O)O)CC2=C(C=CC(=C2)O)Cl

InChI

InChI=1S/C16H16ClN3O5/c17-12-4-3-11(21)8-10(12)9-20-7-1-2-13(15(20)24)19-16(25)18-6-5-14(22)23/h1-4,7-8,21H,5-6,9H2,(H,22,23)(H2,18,19,25)