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

Systemtic Name: N-methyl-6-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-methyl-6-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-methyl-6-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(4-allyloxybenzyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H20N2O6/c1-3-8-26-15-6-4-14(5-7-15)13-21(2)20(23)16-11-18-19(28-10-9-27-18)12-17(16)22(24)25/h3-7,11-12H,1,8-10,13H2,2H3