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

Systemtic Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-imidazol-2-amine Openeye Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-imidazol-2-amine CAS Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-2-imidazolamine IUPAC Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenylimidazol-2-amine Traditional Name: [1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-imidazol-2-yl]amine Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C=C(N=C3N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/N3C=C(N=C3N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4/c18-17-20-13(11-4-2-1-3-5-11)9-21(17)19-8-12-6-15-16(26-10-25-15)7-14(12)22(23)24/h1-9H,10H2,(H2,18,20)/b19-8+