2-[(2-methoxyphenyl)amino]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-[(2-methoxyphenyl)amino]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(2-methoxyanilino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(2-methoxyanilino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(2-methoxyanilino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(o-anisidino)acetamide Formula: C17H16N4O6 MolecularWeight: 372.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC1=CC=CC=C1NCC(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H16N4O6/c1-25-14-5-3-2-4-12(14)18-9-17(22)20-19-8-11-6-15-16(27-10-26-15)7-13(11)21(23)24/h2-8,18H,9-10H2,1H3,(H,20,22)/b19-8+