6-chloranyl-2-[[3-(2-methyl-1,3-benzoxazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[3-(2-methyl-1,3-benzoxazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[2-hydroxy-1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-hydroxy-3-(2-methyl-1,3-benzoxazol-5-yl)-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[1-hydroxy-3-(2-methyl-1,3-benzoxazol-5-yl)-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[2-hydroxy-2-keto-1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethyl]amino]quinoline-3-carboxylic acid Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)CC(C(=O)O)NC3=C(C=C4C=C(C=CC4=N3)Cl)C(=O)O

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)CC(C(=O)O)NC3=C(C=C4C=C(C=CC4=N3)Cl)C(=O)O

InChI

InChI=1S/C21H16ClN3O5/c1-10-23-16-6-11(2-5-18(16)30-10)7-17(21(28)29)25-19-14(20(26)27)9-12-8-13(22)3-4-15(12)24-19/h2-6,8-9,17H,7H2,1H3,(H,24,25)(H,26,27)(H,28,29)