2-[8-bromanyl-3-ethoxycarbonyl-4,9-bis(oxidanylidene)cyclohepta[b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[8-bromanyl-3-ethoxycarbonyl-4,9-bis(oxidanylidene)cyclohepta[b]pyridin-1-yl]ethanoic acid Openeye Name: 2-(8-bromo-3-ethoxycarbonyl-4,9-dioxo-cyclohepta[b]pyridin-1-yl)acetic acid CAS Name: 2-(8-bromo-3-ethoxycarbonyl-4,9-dioxo-1-cyclohepta[b]pyridinyl)acetic acid IUPAC Name: 2-(8-bromo-3-ethoxycarbonyl-4,9-dioxocyclohepta[b]pyridin-1-yl)acetic acid Traditional Name: 2-(8-bromo-3-carbethoxy-4,9-diketo-cyclohepta[b]pyridin-1-yl)acetic acid Formula: C15H12BrNO6 MolecularWeight: 382.16288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC=C(C2=O)Br)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC=C(C2=O)Br)CC(=O)O

InChI

InChI=1S/C15H12BrNO6/c1-2-23-15(22)9-6-17(7-11(18)19)12-8(13(9)20)4-3-5-10(16)14(12)21/h3-6H,2,7H2,1H3,(H,18,19)