7-[4-(carboxymethyl)piperazin-1-yl]-6-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(carboxymethyl)piperazin-1-yl]-6-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(carboxymethyl)piperazin-1-yl]-6-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(carboxymethyl)-1-piperazinyl]-6-chloro-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(carboxymethyl)piperazin-1-yl]-6-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(carboxymethyl)piperazino]-6-chloro-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)O)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)O)Cl)C(=O)O

InChI

InChI=1S/C18H20ClN3O5/c1-2-21-9-12(18(26)27)17(25)11-7-13(19)15(8-14(11)21)22-5-3-20(4-6-22)10-16(23)24/h7-9H,2-6,10H2,1H3,(H,23,24)(H,26,27)