2-(6-chloranyl-3-ethoxycarbonyl-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid

Systemtic Name: 2-(6-chloranyl-3-ethoxycarbonyl-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid Openeye Name: 2-(6-chloro-3-ethoxycarbonyl-2-oxo-cyclohepta[b]pyrrol-1-yl)acetic acid CAS Name: 2-(6-chloro-3-ethoxycarbonyl-2-oxo-1-cyclohepta[b]pyrrolyl)acetic acid IUPAC Name: 2-(6-chloro-3-ethoxycarbonyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-6-chloro-2-keto-cyclohepta[b]pyrrol-1-yl)acetic acid Formula: C14H12ClNO5 MolecularWeight: 309.70178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2N(C1=O)CC(=O)O)Cl

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2N(C1=O)CC(=O)O)Cl

InChI

InChI=1S/C14H12ClNO5/c1-2-21-14(20)12-9-5-3-8(15)4-6-10(9)16(13(12)19)7-11(17)18/h3-6H,2,7H2,1H3,(H,17,18)