2-benzo[a]anthracen-12-ylethanenitrile

Systemtic Name: 2-benzo[a]anthracen-12-ylethanenitrile Openeye Name: 2-benzo[a]anthracen-12-ylacetonitrile CAS Name: 2-(12-benzo[a]anthracenyl)acetonitrile IUPAC Name: 2-benzo[a]anthracen-12-ylacetonitrile Traditional Name: 2-benz[a]anthracen-12-ylacetonitrile Formula: C20H13N MolecularWeight: 267.32392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)CC#N

InChI

InChI=1S/C20H13N/c21-12-11-19-17-7-3-2-6-15(17)13-16-10-9-14-5-1-4-8-18(14)20(16)19/h1-10,13H,11H2