2-[(3-benzamido-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-6-chloranyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[(3-benzamido-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-6-chloranyl-quinoline-3-carboxylic acid Openeye Name: 2-[[1-(benzamidomethyl)-2-hydroxy-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 2-[(3-benzamido-1-hydroxy-1-oxopropan-2-yl)amino]-6-chloro-3-quinolinecarboxylic acid IUPAC Name: 2-[(3-benzamido-1-hydroxy-1-oxopropan-2-yl)amino]-6-chloroquinoline-3-carboxylic acid Traditional Name: 2-[[1-(benzamidomethyl)-2-hydroxy-2-keto-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C20H16ClN3O5/c21-13-6-7-15-12(8-13)9-14(19(26)27)17(23-15)24-16(20(28)29)10-22-18(25)11-4-2-1-3-5-11/h1-9,16H,10H2,(H,22,25)(H,23,24)(H,26,27)(H,28,29)