N-[8-(1,3-benzodioxol-5-yl)-7-nitro-6-oxidanylidene-oct-7-enyl]-4-methoxy-benzamide

Systemtic Name: N-[8-(1,3-benzodioxol-5-yl)-7-nitro-6-oxidanylidene-oct-7-enyl]-4-methoxy-benzamide Openeye Name: N-[8-(1,3-benzodioxol-5-yl)-7-nitro-6-oxo-oct-7-enyl]-4-methoxy-benzamide CAS Name: N-[8-(1,3-benzodioxol-5-yl)-7-nitro-6-oxooct-7-enyl]-4-methoxybenzamide IUPAC Name: N-[8-(1,3-benzodioxol-5-yl)-7-nitro-6-oxooct-7-enyl]-4-methoxybenzamide Traditional Name: N-[8-(1,3-benzodioxol-5-yl)-6-keto-7-nitro-oct-7-enyl]-4-methoxy-benzamide Formula: C23H24N2O7 MolecularWeight: 440.44586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCCCCC(=O)C(=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCCCCC(=O)C(=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7/c1-30-18-9-7-17(8-10-18)23(27)24-12-4-2-3-5-20(26)19(25(28)29)13-16-6-11-21-22(14-16)32-15-31-21/h6-11,13-14H,2-5,12,15H2,1H3,(H,24,27)