4,5-bis(chloranyl)-2-[(2-methyl-3-oxidanyl-3-oxidanylidene-propanoyl)amino]-3,7-dihydro-1H-quinoline-2-carboxylic acid

Systemtic Name: 4,5-bis(chloranyl)-2-[(2-methyl-3-oxidanyl-3-oxidanylidene-propanoyl)amino]-3,7-dihydro-1H-quinoline-2-carboxylic acid Openeye Name: 4,5-dichloro-2-[(3-hydroxy-2-methyl-3-oxo-propanoyl)amino]-3,7-dihydro-1H-quinoline-2-carboxylic acid CAS Name: 4,5-dichloro-2-[(3-hydroxy-2-methyl-1,3-dioxopropyl)amino]-3,7-dihydro-1H-quinoline-2-carboxylic acid IUPAC Name: 4,5-dichloro-2-[(3-hydroxy-2-methyl-3-oxopropanoyl)amino]-3,7-dihydro-1H-quinoline-2-carboxylic acid Traditional Name: 4,5-dichloro-2-[(3-hydroxy-3-keto-2-methyl-propanoyl)amino]-3,7-dihydro-1H-quinoline-2-carboxylic acid Formula: C14H14Cl2N2O5 MolecularWeight: 361.17736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CC(=C2C(=CCC=C2Cl)N1)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CC(C(=O)NC1(CC(=C2C(=CCC=C2Cl)N1)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14Cl2N2O5/c1-6(12(20)21)11(19)18-14(13(22)23)5-8(16)10-7(15)3-2-4-9(10)17-14/h3-4,6,17H,2,5H2,1H3,(H,18,19)(H,20,21)(H,22,23)