2-cyano-2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid

Systemtic Name: 2-cyano-2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid Openeye Name: 2-cyano-2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid CAS Name: 2-cyano-2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid IUPAC Name: 2-cyano-2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Traditional Name: 2-cyano-2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=CC=CC=C3O1)C(C#N)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=CC=CC=C3O1)C(C#N)C(=O)O

InChI

InChI=1S/C17H13NO3/c18-9-14(17(19)20)16-12-6-2-1-5-11(12)10-21-15-8-4-3-7-13(15)16/h1-8,14,16H,10H2,(H,19,20)