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

Systemtic Name: 2-(6-chloranyl-3-ethanoyl-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid Openeye Name: 2-(3-acetyl-6-chloro-2-oxo-cyclohepta[b]pyrrol-1-yl)acetic acid CAS Name: 2-(3-acetyl-6-chloro-2-oxo-1-cyclohepta[b]pyrrolyl)acetic acid IUPAC Name: 2-(3-acetyl-6-chloro-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid Traditional Name: 2-(3-acetyl-6-chloro-2-keto-cyclohepta[b]pyrrol-1-yl)acetic acid Formula: C13H10ClNO4 MolecularWeight: 279.6758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClNO4/c1-7(16)12-9-4-2-8(14)3-5-10(9)15(13(12)19)6-11(17)18/h2-5H,6H2,1H3,(H,17,18)