5-ethyl-N3-[(E)-(2-methoxy-5-nitro-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: 5-ethyl-N3-[(E)-(2-methoxy-5-nitro-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: 5-ethyl-N3-[(E)-(2-methoxy-5-nitro-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: 5-ethyl-N3-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 5-ethyl-3-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-ethyl-1,2,4-triazol-3-yl)-[(E)-(2-methoxy-5-nitro-benzylidene)amino]amine Formula: C12H15N7O3 MolecularWeight: 305.2926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=NN=C(N1N)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C12H15N7O3/c1-3-11-15-17-12(18(11)13)16-14-7-8-6-9(19(20)21)4-5-10(8)22-2/h4-7H,3,13H2,1-2H3,(H,16,17)/b14-7+