7-(1,4-diazepan-1-yl)-6-fluoranyl-1-(1-methyl-4-nitro-pyrrol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(1,4-diazepan-1-yl)-6-fluoranyl-1-(1-methyl-4-nitro-pyrrol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(1,4-diazepan-1-yl)-6-fluoro-1-(1-methyl-4-nitro-pyrrol-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(1,4-diazepan-1-yl)-6-fluoro-1-(1-methyl-4-nitro-3-pyrrolyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(1,4-diazepan-1-yl)-6-fluoro-1-(1-methyl-4-nitropyrrol-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(1,4-diazepan-1-yl)-6-fluoro-4-keto-1-(1-methyl-4-nitro-pyrrol-3-yl)quinoline-3-carboxylic acid Formula: C20H20FN5O5 MolecularWeight: 429.401703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1)[N+](=O)[O-])N2C=C(C(=O)C3=CC(=C(C=C32)N4CCCNCC4)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=C1)[N+](=O)[O-])N2C=C(C(=O)C3=CC(=C(C=C32)N4CCCNCC4)F)C(=O)O

InChI

InChI=1S/C20H20FN5O5/c1-23-10-17(18(11-23)26(30)31)25-9-13(20(28)29)19(27)12-7-14(21)16(8-15(12)25)24-5-2-3-22-4-6-24/h7-11,22H,2-6H2,1H3,(H,28,29)