7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-5-nitro-quinoline-3-carboxylic acid Formula: C31H28ClFN4O6 MolecularWeight: 607.028623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H28ClFN4O6/c1-43-30-27-23(29(38)22(31(39)40)17-36(27)21-11-12-21)26(37(41)42)24(33)28(30)35-15-13-34(14-16-35)25(18-5-3-2-4-6-18)19-7-9-20(32)10-8-19/h2-10,17,21,25H,11-16H2,1H3,(H,39,40)