1-[(E)-(3-ethoxy-5-nitro-4-phenylmethoxy-phenyl)methylideneamino]-1,2,3,4-tetrazol-5-amine

Systemtic Name: 1-[(E)-(3-ethoxy-5-nitro-4-phenylmethoxy-phenyl)methylideneamino]-1,2,3,4-tetrazol-5-amine Openeye Name: 1-[(E)-(4-benzyloxy-3-ethoxy-5-nitro-phenyl)methyleneamino]tetrazol-5-amine CAS Name: 1-[(E)-(3-ethoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-5-tetrazolamine IUPAC Name: 1-[(E)-(3-ethoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine Traditional Name: [1-[(E)-(4-benzoxy-3-ethoxy-5-nitro-benzylidene)amino]tetrazol-5-yl]amine Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)[N+](=O)[O-])C=NN3C(=NN=N3)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)[N+](=O)[O-])/C=N/N3C(=NN=N3)N

InChI

InChI=1S/C17H17N7O4/c1-2-27-15-9-13(10-19-23-17(18)20-21-22-23)8-14(24(25)26)16(15)28-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,18,20,22)/b19-10+