2-methylbenzene-1,3-dicarbonitrile oxide; 4-methylbenzene-1,3-dicarbonitrile oxide

Systemtic Name: 2-methylbenzene-1,3-dicarbonitrile oxide; 4-methylbenzene-1,3-dicarbonitrile oxide Openeye Name: 2-methylbenzene-1,3-dicarbonitrile oxide; 4-methylbenzene-1,3-dicarbonitrile oxide CAS Name: 2-methylbenzene-1,3-dicarbonitrile oxide; 4-methylbenzene-1,3-dicarbonitrile oxide IUPAC Name: 2-methylbenzene-1,3-dicarbonitrile oxide; 4-methylbenzene-1,3-dicarbonitrile oxide Traditional Name: 2-methylbenzene-1,3-dicarbonitrile oxide; 4-methylbenzene-1,3-dicarbonitrile oxide Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#[N+][O-])C#[N+][O-].CC1=C(C=CC=C1C#[N+][O-])C#[N+][O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C#[N+][O-])C#[N+][O-].CC1=C(C=CC=C1C#[N+][O-])C#[N+][O-]

InChI

InChI=1S/2C9H6N2O2/c1-7-2-3-8(5-10-12)4-9(7)6-11-13;1-7-8(5-10-12)3-2-4-9(7)6-11-13/h2*2-4H,1H3