7-(3-azanylpyrrolidin-1-yl)-1-(1-chloranylpropan-2-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-1-(1-chloranylpropan-2-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-(3-aminopyrrolidin-1-yl)-1-(2-chloro-1-methyl-ethyl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-(1-chloropropan-2-yl)-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-(1-chloropropan-2-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-aminopyrrolidino)-1-(2-chloro-1-methyl-ethyl)-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C17H18ClFN3O3- MolecularWeight: 366.794523

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)N)F)C(=O)[O-]

Isomeric SMILES

CC(CCl)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)N)F)C(=O)[O-]

InChI

InChI=1S/C17H19ClFN3O3/c1-9(6-18)22-8-12(17(24)25)16(23)11-4-13(19)15(5-14(11)22)21-3-2-10(20)7-21/h4-5,8-10H,2-3,6-7,20H2,1H3,(H,24,25)/p-1