N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine Traditional Name: [(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-phthalazin-1-yl-amine Formula: C16H11N5O4 MolecularWeight: 337.28964

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NN=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=NN=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4/c22-21(23)13-6-15-14(24-9-25-15)5-11(13)8-18-20-16-12-4-2-1-3-10(12)7-17-19-16/h1-8H,9H2,(H,19,20)/b18-8+