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

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-2-oxo-1H-quinoline-4-carboxylic acid CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid IUPAC Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-keto-1H-quinoline-4-carboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=CC=CC=C2NC1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=CC=CC=C2NC1=O)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-16(2,3)23-15(22)17-8-10-12(14(20)21)9-6-4-5-7-11(9)18-13(10)19/h4-7H,8H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)