1-cyclopropyl-6-fluoranyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-[(tert-butoxycarbonylamino)methyl]vinyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-en-2-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-[(tert-butoxycarbonylamino)methyl]vinyl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=C)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=C)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C21H23FN2O5/c1-11(9-23-20(28)29-21(2,3)4)13-8-17-14(7-16(13)22)18(25)15(19(26)27)10-24(17)12-5-6-12/h7-8,10,12H,1,5-6,9H2,2-4H3,(H,23,28)(H,26,27)