3-[2-ethoxycarbonyl-7-oxidanyl-4,6-bis(oxidanylidene)cyclohepta[b]pyridin-1-yl]propanoic acid

Systemtic Name: 3-[2-ethoxycarbonyl-7-oxidanyl-4,6-bis(oxidanylidene)cyclohepta[b]pyridin-1-yl]propanoic acid Openeye Name: 3-(2-ethoxycarbonyl-7-hydroxy-4,6-dioxo-cyclohepta[b]pyridin-1-yl)propanoic acid CAS Name: 3-(2-ethoxycarbonyl-7-hydroxy-4,6-dioxo-1-cyclohepta[b]pyridinyl)propanoic acid IUPAC Name: 3-(2-ethoxycarbonyl-7-hydroxy-4,6-dioxocyclohepta[b]pyridin-1-yl)propanoic acid Traditional Name: 3-(2-carbethoxy-7-hydroxy-4,6-diketo-cyclohepta[b]pyridin-1-yl)propionic acid Formula: C16H15NO7 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=CC(=O)C(=CC=C2N1CCC(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=CC(=O)C(=CC=C2N1CCC(=O)O)O

InChI

InChI=1S/C16H15NO7/c1-2-24-16(23)11-8-13(19)9-7-14(20)12(18)4-3-10(9)17(11)6-5-15(21)22/h3-4,7-8H,2,5-6H2,1H3,(H,18,20)(H,21,22)