3-azanyl-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-1H-quinoxalin-4-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-1H-quinoxalin-4-ium-2-carboximidamide Openeye Name: 3-amino-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-oxo-1H-quinoxalin-4-ium-2-carboxamidine CAS Name: 3-amino-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-1H-quinoxalin-4-ium-2-carboximidamide IUPAC Name: 3-amino-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-1H-quinoxalin-4-ium-2-carboximidamide Traditional Name: 3-amino-4-keto-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-quinoxalin-4-ium-2-carboxamidine Formula: C17H14N7O5+ MolecularWeight: 396.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN=C(C3=C([N+](=O)C4=CC=CC=C4N3)N)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N\N=C(C3=C([N+](=O)C4=CC=CC=C4N3)N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N7O5/c18-16(15-17(19)23(25)11-4-2-1-3-10(11)21-15)22-20-7-9-5-13-14(29-8-28-13)6-12(9)24(26)27/h1-7H,8,19H2,(H2,18,22)(H,21,25)/q+1/b20-7-