2-(3,3-dimethyl-6-nitro-inden-1-yl)ethanenitrile

Systemtic Name: 2-(3,3-dimethyl-6-nitro-inden-1-yl)ethanenitrile Openeye Name: 2-(3,3-dimethyl-6-nitro-inden-1-yl)acetonitrile CAS Name: 2-(3,3-dimethyl-6-nitro-1-indenyl)acetonitrile IUPAC Name: 2-(3,3-dimethyl-6-nitroinden-1-yl)acetonitrile Traditional Name: 2-(3,3-dimethyl-6-nitro-inden-1-yl)acetonitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC#N)C

Isomeric SMILES

CC1(C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC#N)C

InChI

InChI=1S/C13H12N2O2/c1-13(2)8-9(5-6-14)11-7-10(15(16)17)3-4-12(11)13/h3-4,7-8H,5H2,1-2H3