3,7-dimethoxybicyclo[2.2.1]hepta-1,3,5-triene; 2-phenylazanylprop-2-enenitrile

Systemtic Name: 3,7-dimethoxybicyclo[2.2.1]hepta-1,3,5-triene; 2-phenylazanylprop-2-enenitrile Openeye Name: 2-anilinoprop-2-enenitrile; 3,7-dimethoxybicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 2-anilino-2-propenenitrile; 3,7-dimethoxybicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 2-anilinoprop-2-enenitrile; 3,7-dimethoxybicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 2-anilinoacrylonitrile; 3,7-dimethoxybicyclo[2.2.1]hepta-1,3,5-triene Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC(=C1C=C2)OC.C=C(C#N)NC1=CC=CC=C1

Isomeric SMILES

COC1C2=CC(=C1C=C2)OC.C=C(C#N)NC1=CC=CC=C1

InChI

InChI=1S/C9H8N2.C9H10O2/c1-8(7-10)11-9-5-3-2-4-6-9;1-10-8-5-6-3-4-7(8)9(6)11-2/h2-6,11H,1H2;3-5,9H,1-2H3