2-[3-azanyl-2-(1,2-benzoxazol-3-yl)phenyl]ethanenitrile

Systemtic Name: 2-[3-azanyl-2-(1,2-benzoxazol-3-yl)phenyl]ethanenitrile Openeye Name: 2-[3-amino-2-(1,2-benzoxazol-3-yl)phenyl]acetonitrile CAS Name: 2-[3-amino-2-(1,2-benzoxazol-3-yl)phenyl]acetonitrile IUPAC Name: 2-[3-amino-2-(1,2-benzoxazol-3-yl)phenyl]acetonitrile Traditional Name: 2-(3-amino-2-indoxazen-3-yl-phenyl)acetonitrile Formula: C15H11N3O MolecularWeight: 249.26734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)C3=C(C=CC=C3N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)C3=C(C=CC=C3N)CC#N

InChI

InChI=1S/C15H11N3O/c16-9-8-10-4-3-6-12(17)14(10)15-11-5-1-2-7-13(11)19-18-15/h1-7H,8,17H2