2-methylbenzo[b][1]benzoxepine-5-carbonitrile

Systemtic Name: 2-methylbenzo[b][1]benzoxepine-5-carbonitrile Openeye Name: 2-methylbenzo[b][1]benzoxepine-5-carbonitrile CAS Name: 2-methyl-5-benzo[b][1]benzoxepincarbonitrile IUPAC Name: 2-methylbenzo[b][1]benzoxepine-5-carbonitrile Traditional Name: 2-methylbenzo[b][1]benzoxepin-5-carbonitrile Formula: C16H11NO MolecularWeight: 233.26464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC3=CC=CC=C3O2)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C16H11NO/c1-11-6-7-14-13(10-17)9-12-4-2-3-5-15(12)18-16(14)8-11/h2-9H,1H3