5,6-dimethylbenzo[b][1]benzoxepine-3-carbonitrile

Systemtic Name: 5,6-dimethylbenzo[b][1]benzoxepine-3-carbonitrile Openeye Name: 5,6-dimethylbenzo[b][1]benzoxepine-3-carbonitrile CAS Name: 5,6-dimethyl-3-benzo[b][1]benzoxepincarbonitrile IUPAC Name: 5,6-dimethylbenzo[b][1]benzoxepine-3-carbonitrile Traditional Name: 5,6-dimethylbenzo[b][1]benzoxepin-3-carbonitrile Formula: C17H13NO MolecularWeight: 247.29122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)C#N)OC3=CC=CC=C13)C

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)C#N)OC3=CC=CC=C13)C

InChI

InChI=1S/C17H13NO/c1-11-12(2)15-9-13(10-18)7-8-17(15)19-16-6-4-3-5-14(11)16/h3-9H,1-2H3