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

Systemtic Name: 2-[5-nitro-1-(phenylmethyl)indol-4-yl]ethanenitrile Openeye Name: 2-(1-benzyl-5-nitro-indol-4-yl)acetonitrile CAS Name: 2-[5-nitro-1-(phenylmethyl)-4-indolyl]acetonitrile IUPAC Name: 2-(1-benzyl-5-nitroindol-4-yl)acetonitrile Traditional Name: 2-(1-benzyl-5-nitro-indol-4-yl)acetonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O2/c18-10-8-14-15-9-11-19(12-13-4-2-1-3-5-13)16(15)6-7-17(14)20(21)22/h1-7,9,11H,8,12H2