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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC=CC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O5/c1-21(2,3)29-20(28)23-8-4-5-12-9-17-14(10-16(12)22)18(25)15(19(26)27)11-24(17)13-6-7-13/h4-5,9-11,13H,6-8H2,1-3H3,(H,23,28)(H,26,27)/b5-4+