3-(cyanomethyl)-2-methyl-5-nitro-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-2-methyl-5-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-2-methyl-5-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-2-methyl-5-nitrobenzonitrile IUPAC Name: 3-(cyanomethyl)-2-methyl-5-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-2-methyl-5-nitro-benzonitrile Formula: C10H7N3O2 MolecularWeight: 201.18148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O2/c1-7-8(2-3-11)4-10(13(14)15)5-9(7)6-12/h4-5H,2H2,1H3