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

Systemtic Name: N3-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxy-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-isopropoxy-3-methoxy-5-nitro-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(4-isopropoxy-3-methoxy-5-nitro-benzylidene)amino]amine Formula: C13H17N7O4 MolecularWeight: 335.31858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1OC)C=NNC2=NN=CN2N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1OC)/C=N/NC2=NN=CN2N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O4/c1-8(2)24-12-10(20(21)22)4-9(5-11(12)23-3)6-15-17-13-18-16-7-19(13)14/h4-8H,14H2,1-3H3,(H,17,18)/b15-6+