3-[[1-[(2-chloranyl-6-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[1-[(2-chloranyl-6-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(2-chloro-6-hydroxy-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[1-[(2-chloro-6-hydroxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(2-chloro-6-hydroxyphenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[1-(2-chloro-6-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=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O)O

InChI

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