methyl (2S)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(4-chloro-3-quinolinyl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=C(C2=CC=CC=C2N=C1)Cl

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=C(C2=CC=CC=C2N=C1)Cl

InChI

InChI=1S/C14H13ClN2O4/c1-21-14(20)11(7-18)17-13(19)9-6-16-10-5-3-2-4-8(10)12(9)15/h2-6,11,18H,7H2,1H3,(H,17,19)/t11-/m0/s1