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

Systemtic Name: 6-chloranyl-2-[[1-[(3-methoxyphenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[1-(hydroxymethyl)-2-(3-methoxyanilino)-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[2-keto-2-(m-anisidino)-1-methylol-ethyl]amino]quinoline-3-carboxylic acid Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(CO)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(CO)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O5/c1-29-14-4-2-3-13(9-14)22-19(26)17(10-25)24-18-15(20(27)28)8-11-7-12(21)5-6-16(11)23-18/h2-9,17,25H,10H2,1H3,(H,22,26)(H,23,24)(H,27,28)