7-[(5-bromanylpyridin-2-yl)-[(4-carboxyphenyl)methyl]amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(5-bromanylpyridin-2-yl)-[(4-carboxyphenyl)methyl]amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(5-bromo-2-pyridyl)-[(4-carboxyphenyl)methyl]amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(5-bromo-2-pyridinyl)-[(4-carboxyphenyl)methyl]amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(5-bromopyridin-2-yl)-[(4-carboxyphenyl)methyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(5-bromo-2-pyridyl)-(4-carboxybenzyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H19BrFN3O5 MolecularWeight: 552.348563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)C5=NC=C(C=C5)Br)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)C5=NC=C(C=C5)Br)F)C(=O)O

InChI

InChI=1S/C26H19BrFN3O5/c27-16-5-8-23(29-11-16)31(12-14-1-3-15(4-2-14)25(33)34)22-10-21-18(9-20(22)28)24(32)19(26(35)36)13-30(21)17-6-7-17/h1-5,8-11,13,17H,6-7,12H2,(H,33,34)(H,35,36)