2-ethyl-5-nitro-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine

Systemtic Name: 2-ethyl-5-nitro-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine Openeye Name: 2-ethyl-5-nitro-N-[(E)-(3-phenoxyphenyl)methyleneamino]-1,2,4-triazol-3-amine CAS Name: 2-ethyl-5-nitro-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine IUPAC Name: 2-ethyl-5-nitro-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine Traditional Name: (2-ethyl-5-nitro-1,2,4-triazol-3-yl)-[(E)-(3-phenoxybenzylidene)amino]amine Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)[N+](=O)[O-])NN=CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NC(=N1)[N+](=O)[O-])N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C17H16N6O3/c1-2-22-16(19-17(21-22)23(24)25)20-18-12-13-7-6-10-15(11-13)26-14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,19,20,21)/b18-12+