(2E)-3-azanyl-3-morpholin-4-ium-4-ylidene-2-[(2-nitrophenyl)hydrazinylidene]propanenitrile

Systemtic Name: (2E)-3-azanyl-3-morpholin-4-ium-4-ylidene-2-[(2-nitrophenyl)hydrazinylidene]propanenitrile Openeye Name: (1E)-2-amino-2-morpholin-4-ium-4-ylidene-N-(2-nitroanilino)acetimidoyl cyanide CAS Name: (2E)-3-amino-3-(4-morpholin-4-iumylidene)-2-[(2-nitrophenyl)hydrazinylidene]propanenitrile IUPAC Name: (1E)-2-amino-2-morpholin-4-ium-4-ylidene-N-(2-nitroanilino)ethanimidoyl cyanide Traditional Name: (2E)-3-amino-3-morpholin-4-ium-4-ylidene-2-[(2-nitrophenyl)hydrazono]propionitrile Formula: C13H15N6O3+ MolecularWeight: 303.2966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C(C(=NNC2=CC=CC=C2[N+](=O)[O-])C#N)N

Isomeric SMILES

C1COCC[N+]1=C(/C(=N/NC2=CC=CC=C2[N+](=O)[O-])/C#N)N

InChI

InChI=1S/C13H14N6O3/c14-9-11(13(15)18-5-7-22-8-6-18)17-16-10-3-1-2-4-12(10)19(20)21/h1-4H,5-8H2,(H2,15,16)/p+1