2-[5-nitro-1-(phenylmethoxymethyl)indol-4-yl]ethanenitrile

Systemtic Name: 2-[5-nitro-1-(phenylmethoxymethyl)indol-4-yl]ethanenitrile Openeye Name: 2-[1-(benzyloxymethyl)-5-nitro-indol-4-yl]acetonitrile CAS Name: 2-[5-nitro-1-(phenylmethoxymethyl)-4-indolyl]acetonitrile IUPAC Name: 2-[5-nitro-1-(phenylmethoxymethyl)indol-4-yl]acetonitrile Traditional Name: 2-[1-(benzoxymethyl)-5-nitro-indol-4-yl]acetonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCN2C=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3/c19-10-8-15-16-9-11-20(17(16)6-7-18(15)21(22)23)13-24-12-14-4-2-1-3-5-14/h1-7,9,11H,8,12-13H2