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

Systemtic Name: 6-nitro-N-[4-(4-phenylmethoxyphenoxy)butyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[4-(4-benzyloxyphenoxy)butyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[4-(4-phenylmethoxyphenoxy)butyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 6-nitro-N-[4-(4-phenylmethoxyphenoxy)butyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[4-(4-benzoxyphenoxy)butyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O7/c29-26(22-16-24-25(34-15-14-33-24)17-23(22)28(30)31)27-12-4-5-13-32-20-8-10-21(11-9-20)35-18-19-6-2-1-3-7-19/h1-3,6-11,16-17H,4-5,12-15,18H2,(H,27,29)