7-[2-(1-azanylethyl)pyrrolidin-1-yl]-8-chloranyl-1-ethyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(1-azanylethyl)pyrrolidin-1-yl]-8-chloranyl-1-ethyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(1-aminoethyl)pyrrolidin-1-yl]-8-chloro-1-ethyl-6-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(1-aminoethyl)-1-pyrrolidinyl]-8-chloro-1-ethyl-6-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(1-aminoethyl)pyrrolidin-1-yl]-8-chloro-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(1-aminoethyl)pyrrolidino]-8-chloro-1-ethyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCCC3C(C)N)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCCC3C(C)N)O)C(=O)O

InChI

InChI=1S/C18H22ClN3O4/c1-3-21-8-11(18(25)26)17(24)10-7-13(23)16(14(19)15(10)21)22-6-4-5-12(22)9(2)20/h7-9,12,23H,3-6,20H2,1-2H3,(H,25,26)