6-chloranyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-chloro-4-[4-(2-hydroxyethyl)piperazino]-2-keto-1H-quinoline-3-carboxylic acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H18ClN3O4/c17-10-1-2-12-11(9-10)14(13(16(23)24)15(22)18-12)20-5-3-19(4-6-20)7-8-21/h1-2,9,21H,3-8H2,(H,18,22)(H,23,24)