7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-(tert-butoxycarbonylamino)-7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-(tert-butoxycarbonylamino)-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C22H20ClFN2O5 MolecularWeight: 446.856003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C22H20ClFN2O5/c1-22(2,3)31-21(30)25-16-10-14(20(28)29)19(27)26-11-12(7-8-17(16)26)9-13-5-4-6-15(23)18(13)24/h4-8,10-11H,9H2,1-3H3,(H,25,30)(H,28,29)