N-[(E)-(2,4-dimethoxy-5-nitro-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(E)-(2,4-dimethoxy-5-nitro-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(E)-(2,4-dimethoxy-5-nitro-phenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(E)-(2,4-dimethoxy-5-nitro-benzylidene)amino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-])OC

InChI

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