2-[1-[(4-methoxyphenyl)methyl]-6-nitro-indol-7-yl]ethanenitrile

Systemtic Name: 2-[1-[(4-methoxyphenyl)methyl]-6-nitro-indol-7-yl]ethanenitrile Openeye Name: 2-[1-[(4-methoxyphenyl)methyl]-6-nitro-indol-7-yl]acetonitrile CAS Name: 2-[1-[(4-methoxyphenyl)methyl]-6-nitro-7-indolyl]acetonitrile IUPAC Name: 2-[1-[(4-methoxyphenyl)methyl]-6-nitroindol-7-yl]acetonitrile Traditional Name: 2-(6-nitro-1-p-anisyl-indol-7-yl)acetonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=CC3=C2C(=C(C=C3)[N+](=O)[O-])CC#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=CC3=C2C(=C(C=C3)[N+](=O)[O-])CC#N

InChI

InChI=1S/C18H15N3O3/c1-24-15-5-2-13(3-6-15)12-20-11-9-14-4-7-17(21(22)23)16(8-10-19)18(14)20/h2-7,9,11H,8,12H2,1H3