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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OCC

InChI

InChI=1S/C21H24N2O7/c1-3-27-17-6-5-14(11-18(17)28-4-2)7-8-22-21(24)15-12-19-20(30-10-9-29-19)13-16(15)23(25)26/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24)