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

Systemtic Name: 7-[(4-carboxyphenyl)methyl-(6-chloranylpyrazin-2-yl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-carboxyphenyl)methyl-(6-chloropyrazin-2-yl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4-carboxyphenyl)methyl-(6-chloro-2-pyrazinyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-carboxyphenyl)methyl-(6-chloropyrazin-2-yl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-carboxybenzyl)-(6-chloropyrazin-2-yl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H18ClFN4O5 MolecularWeight: 508.885623

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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=CN=CC(=N5)Cl)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=CN=CC(=N5)Cl)F)C(=O)O

InChI

InChI=1S/C25H18ClFN4O5/c26-21-9-28-10-22(29-21)31(11-13-1-3-14(4-2-13)24(33)34)20-8-19-16(7-18(20)27)23(32)17(25(35)36)12-30(19)15-5-6-15/h1-4,7-10,12,15H,5-6,11H2,(H,33,34)(H,35,36)