4-[[4-(cyanomethyl)phenyl]amino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[[4-(cyanomethyl)phenyl]amino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(cyanomethyl)anilino]-5-nitro-phthalonitrile CAS Name: 4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(cyanomethyl)anilino]-5-nitro-phthalonitrile Formula: C16H9N5O2 MolecularWeight: 303.27496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O2/c17-6-5-11-1-3-14(4-2-11)20-15-7-12(9-18)13(10-19)8-16(15)21(22)23/h1-4,7-8,20H,5H2