N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C21H24N2O7 MolecularWeight: 416.42446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-28-20-11-15(16(23(25)26)12-18(20)27-3)21(24)22-13(2)14-6-7-17-19(10-14)30-9-5-8-29-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)