7-[3-(aminomethyl)-3-oxidanyl-pyrrolidin-1-yl]-1-(aziridin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)-3-oxidanyl-pyrrolidin-1-yl]-1-(aziridin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-3-hydroxy-pyrrolidin-1-yl]-1-(aziridin-1-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-3-hydroxy-1-pyrrolidinyl]-1-(1-aziridinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-1-(aziridin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)-3-hydroxy-pyrrolidino]-1-ethylenimino-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18F2N4O4 MolecularWeight: 380.346026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1(CN)O)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)N4CC4)F

Isomeric SMILES

C1CN(CC1(CN)O)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)N4CC4)F

InChI

InChI=1S/C17H18F2N4O4/c18-11-5-9-13(12(19)14(11)21-2-1-17(27,7-20)8-21)23(22-3-4-22)6-10(15(9)24)16(25)26/h5-6,27H,1-4,7-8,20H2,(H,25,26)