7-[(4-carboxyphenyl)methylamino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4-carboxyphenyl)methylamino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-carboxyphenyl)methylamino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4-carboxyphenyl)methylamino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-carboxyphenyl)methylamino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-carboxybenzyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H17FN2O5 MolecularWeight: 396.368483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCC4=CC=C(C=C4)C(=O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCC4=CC=C(C=C4)C(=O)O)F)C(=O)O

InChI

InChI=1S/C21H17FN2O5/c22-16-7-14-18(24(13-5-6-13)10-15(19(14)25)21(28)29)8-17(16)23-9-11-1-3-12(4-2-11)20(26)27/h1-4,7-8,10,13,23H,5-6,9H2,(H,26,27)(H,28,29)