N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 6-nitro-N-veratryl-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-24-14-4-3-11(7-15(14)25-2)10-19-18(21)12-8-16-17(27-6-5-26-16)9-13(12)20(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,21)