3,4,5-trimethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 3,4,5-trimethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H17N3O8/c1-25-15-4-10(5-16(26-2)17(15)27-3)18(22)20-19-8-11-6-13-14(29-9-28-13)7-12(11)21(23)24/h4-8H,9H2,1-3H3,(H,20,22)/b19-8+