N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-ethoxy-3-nitro-benzamide Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-4-27-17-7-6-15(11-16(17)23(25)26)21(24)22-20(13(2)3)14-5-8-18-19(12-14)29-10-9-28-18/h5-8,11-13,20H,4,9-10H2,1-3H3,(H,22,24)