5-(1,4-diazepan-1-yl)-2-nitro-benzenecarbonitrile

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-nitro-benzenecarbonitrile Openeye Name: 5-(1,4-diazepan-1-yl)-2-nitro-benzonitrile CAS Name: 5-(1,4-diazepan-1-yl)-2-nitrobenzonitrile IUPAC Name: 5-(1,4-diazepan-1-yl)-2-nitrobenzonitrile Traditional Name: 5-(1,4-diazepan-1-yl)-2-nitro-benzonitrile Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H14N4O2/c13-9-10-8-11(2-3-12(10)16(17)18)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2