N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1H-1,2,4-triazol-3-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1H-1,2,4-triazol-3-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1H-1,2,4-triazol-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NNC(=N3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NNC(=N3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4/c22-21(23)12-4-2-1-3-11(12)15-18-16(20-19-15)17-10-5-6-13-14(9-10)25-8-7-24-13/h1-6,9H,7-8H2,(H2,17,18,19,20)