N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-5-phenyl-1,2,4-triazin-3-amine CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine Traditional Name: [(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-(5-phenyl-1,2,4-triazin-3-yl)amine Formula: C17H12N6O4 MolecularWeight: 364.31498

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC(=CN=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=NC(=CN=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O4/c24-23(25)14-7-16-15(26-10-27-16)6-12(14)8-18-21-17-20-13(9-19-22-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21,22)/b18-8+