(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H24N2O8 MolecularWeight: 492.47736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C26H24N2O8/c1-33-21-9-6-17(7-10-21)8-11-24(29)27-23-5-3-2-4-22(23)26(30)35-15-19-13-20(28(31)32)12-18-14-34-16-36-25(18)19/h2-7,9-10,12-13H,8,11,14-16H2,1H3,(H,27,29)