6-chloranyl-4-[ethoxycarbonyl(piperidin-4-yl)amino]-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[ethoxycarbonyl(piperidin-4-yl)amino]-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[ethoxycarbonyl(4-piperidyl)amino]-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-chloro-4-[ethoxycarbonyl(4-piperidinyl)amino]-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-chloro-4-[ethoxycarbonyl(piperidin-4-yl)amino]-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 4-[carbethoxy(4-piperidyl)amino]-6-chloro-2-keto-1H-quinoline-3-carboxylic acid Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1CCNCC1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCOC(=O)N(C1CCNCC1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H20ClN3O5/c1-2-27-18(26)22(11-5-7-20-8-6-11)15-12-9-10(19)3-4-13(12)21-16(23)14(15)17(24)25/h3-4,9,11,20H,2,5-8H2,1H3,(H,21,23)(H,24,25)