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

Systemtic Name: 6-chloranyl-2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C(C=C4C=C(C=CC4=N3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C(C=C4C=C(C=CC4=N3)Cl)C(=O)O

InChI

InChI=1S/C21H16ClN3O4/c22-13-5-6-16-11(7-13)8-15(20(26)27)19(24-16)25-18(21(28)29)9-12-10-23-17-4-2-1-3-14(12)17/h1-8,10,18,23H,9H2,(H,24,25)(H,26,27)(H,28,29)