7-bromanyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-bromanyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-bromo-1-[3-(tert-butoxycarbonylamino)propyl]-4-oxo-quinoline-3-carboxylate CAS Name: 7-bromo-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-bromo-1-[3-(tert-butoxycarbonylamino)propyl]-4-keto-quinoline-3-carboxylate Formula: C18H20BrN2O5- MolecularWeight: 424.2658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN1C=C(C(=O)C2=C1C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN1C=C(C(=O)C2=C1C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C18H21BrN2O5/c1-18(2,3)26-17(25)20-7-4-8-21-10-13(16(23)24)15(22)12-6-5-11(19)9-14(12)21/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,25)(H,23,24)/p-1