(E)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-5-nitro-indol-3-yl)prop-2-enenitrile CAS Name: (E)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-5-nitroindol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-5-nitro-indol-3-yl)acrylonitrile Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C=CC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])/C=C/C#N

InChI

InChI=1S/C18H13N3O2/c19-10-4-7-15-13-20(12-14-5-2-1-3-6-14)18-9-8-16(21(22)23)11-17(15)18/h1-9,11,13H,12H2/b7-4+