5-chloranyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid

Systemtic Name: 5-chloranyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-5-chloro-2-oxo-1H-quinoline-4-carboxylic acid CAS Name: 5-chloro-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid IUPAC Name: 5-chloro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-5-chloro-2-keto-1H-quinoline-4-carboxylic acid Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC=C2Cl)NC1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC=C2Cl)NC1=O)C(=O)O

InChI

InChI=1S/C16H17ClN2O5/c1-16(2,3)24-15(23)18-7-8-11(14(21)22)12-9(17)5-4-6-10(12)19-13(8)20/h4-6H,7H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)