ethyl 8-chloranyl-1-cyclopropyl-7-fluoranyl-6-nitro-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-1-cyclopropyl-7-fluoranyl-6-nitro-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 5-(benzylamino)-8-chloro-1-cyclopropyl-7-fluoro-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-1-cyclopropyl-7-fluoro-6-nitro-4-oxo-5-[(phenylmethyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-8-chloro-1-cyclopropyl-7-fluoro-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 5-(benzylamino)-8-chloro-1-cyclopropyl-7-fluoro-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C22H19ClFN3O5 MolecularWeight: 459.854763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2Cl)F)[N+](=O)[O-])NCC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2Cl)F)[N+](=O)[O-])NCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H19ClFN3O5/c1-2-32-22(29)14-11-26(13-8-9-13)19-15(21(14)28)18(20(27(30)31)17(24)16(19)23)25-10-12-6-4-3-5-7-12/h3-7,11,13,25H,2,8-10H2,1H3