2-methyl-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 2-methyl-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-methyl-3,5-dinitro-benzonitrile CAS Name: 2-methyl-3,5-dinitrobenzonitrile IUPAC Name: 2-methyl-3,5-dinitrobenzonitrile Traditional Name: 2-methyl-3,5-dinitro-benzonitrile Formula: C8H5N3O4 MolecularWeight: 207.143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5N3O4/c1-5-6(4-9)2-7(10(12)13)3-8(5)11(14)15/h2-3H,1H3