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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CN(C=C4[N+](=O)[O-])C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CN(C=C4[N+](=O)[O-])C)F

InChI

InChI=1S/C20H20FN5O5/c1-11-7-24(4-3-22-11)16-6-15-12(5-14(16)21)19(27)13(20(28)29)8-25(15)17-9-23(2)10-18(17)26(30)31/h5-6,8-11,22H,3-4,7H2,1-2H3,(H,28,29)