(2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(4-nitrophenyl)hydrazinylidene]propanenitrile

Systemtic Name: (2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(4-nitrophenyl)hydrazinylidene]propanenitrile Openeye Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-nitroanilino)acetimidoyl cyanide CAS Name: (2Z)-3-amino-3-(1-azepan-1-iumylidene)-2-[(4-nitrophenyl)hydrazinylidene]propanenitrile IUPAC Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-nitroanilino)ethanimidoyl cyanide Traditional Name: (2Z)-3-amino-3-(azepan-1-ium-1-ylidene)-2-[(4-nitrophenyl)hydrazono]propionitrile Formula: C15H19N6O2+ MolecularWeight: 315.35036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C(C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C#N)N)CC1

Isomeric SMILES

C1CCC[N+](=C(/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/C#N)N)CC1

InChI

InChI=1S/C15H18N6O2/c16-11-14(15(17)20-9-3-1-2-4-10-20)19-18-12-5-7-13(8-6-12)21(22)23/h5-8H,1-4,9-10H2,(H2,17,18)/p+1