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

Systemtic Name: 4-nitro-5-[[4-(pyridin-4-ylmethyl)phenyl]amino]benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-[4-(4-pyridylmethyl)anilino]phthalonitrile CAS Name: 4-nitro-5-[4-(pyridin-4-ylmethyl)anilino]benzene-1,2-dicarbonitrile IUPAC Name: 4-nitro-5-[4-(pyridin-4-ylmethyl)anilino]benzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-[4-(4-pyridylmethyl)anilino]phthalonitrile Formula: C20H13N5O2 MolecularWeight: 355.34952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O2/c21-12-16-10-19(20(25(26)27)11-17(16)13-22)24-18-3-1-14(2-4-18)9-15-5-7-23-8-6-15/h1-8,10-11,24H,9H2