2-[[3-(4-aminophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-6-chloranyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[[3-(4-aminophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-6-chloranyl-quinoline-3-carboxylic acid Openeye Name: 2-[[1-[(4-aminophenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 2-[[3-(4-aminophenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-6-chloro-3-quinolinecarboxylic acid IUPAC Name: 2-[[3-(4-aminophenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-6-chloroquinoline-3-carboxylic acid Traditional Name: 2-[[1-(4-aminobenzyl)-2-hydroxy-2-keto-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)N

InChI

InChI=1S/C19H16ClN3O4/c20-12-3-6-15-11(8-12)9-14(18(24)25)17(22-15)23-16(19(26)27)7-10-1-4-13(21)5-2-10/h1-6,8-9,16H,7,21H2,(H,22,23)(H,24,25)(H,26,27)