4-(azepan-1-yl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(azepan-1-yl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-nitro-phthalonitrile CAS Name: 4-(1-azepanyl)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-nitro-phthalonitrile Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O2/c15-9-11-7-13(17-5-3-1-2-4-6-17)14(18(19)20)8-12(11)10-16/h7-8H,1-6H2