6,8-bis(chloranyl)-2-[(3-oxidanyl-1-oxidanylidene-1-phenylazanyl-propan-2-yl)amino]quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(chloranyl)-2-[(3-oxidanyl-1-oxidanylidene-1-phenylazanyl-propan-2-yl)amino]quinoline-3-carboxylic acid Openeye Name: 2-[[2-anilino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-6,8-dichloro-quinoline-3-carboxylic acid CAS Name: 2-[(1-anilino-3-hydroxy-1-oxopropan-2-yl)amino]-6,8-dichloro-3-quinolinecarboxylic acid IUPAC Name: 2-[(1-anilino-3-hydroxy-1-oxopropan-2-yl)amino]-6,8-dichloroquinoline-3-carboxylic acid Traditional Name: 2-[(2-anilino-2-keto-1-methylol-ethyl)amino]-6,8-dichloro-quinoline-3-carboxylic acid Formula: C19H15Cl2N3O4 MolecularWeight: 420.2461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CO)NC2=C(C=C3C=C(C=C(C3=N2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CO)NC2=C(C=C3C=C(C=C(C3=N2)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H15Cl2N3O4/c20-11-6-10-7-13(19(27)28)17(24-16(10)14(21)8-11)23-15(9-25)18(26)22-12-4-2-1-3-5-12/h1-8,15,25H,9H2,(H,22,26)(H,23,24)(H,27,28)