2-(1,3-benzodioxol-5-yl)-N-[(E)-(4,5-dimethoxy-2-nitro-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(4,5-dimethoxy-2-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(4,5-dimethoxy-2-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[(E)-(4,5-dimethoxy-2-nitro-benzylidene)amino]acetamide Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=NNC(=O)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=N/NC(=O)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O7/c1-25-15-7-12(13(21(23)24)8-16(15)26-2)9-19-20-18(22)6-11-3-4-14-17(5-11)28-10-27-14/h3-5,7-9H,6,10H2,1-2H3,(H,20,22)/b19-9+