5-chloranyl-6-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]nicotinic acid Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=N4)C(=O)O)Cl

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=N4)C(=O)O)Cl

InChI

InChI=1S/C19H18ClN3O4/c20-15-9-13(18(24)25)10-21-17(15)22-7-5-14(6-8-22)23-16-4-2-1-3-12(16)11-27-19(23)26/h1-4,9-10,14H,5-8,11H2,(H,24,25)