N3-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-morpholino-3-nitro-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(4-morpholino-3-nitro-benzylidene)amino]amine Formula: C13H16N8O3 MolecularWeight: 332.31794

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NNC3=NN=CN3N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=N/NC3=NN=CN3N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N8O3/c14-20-9-16-18-13(20)17-15-8-10-1-2-11(12(7-10)21(22)23)19-3-5-24-6-4-19/h1-2,7-9H,3-6,14H2,(H,17,18)/b15-8+