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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methyl-3-nitro-benzamide Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-12-4-5-15(10-16(12)21(23)24)19(22)20-13(2)14-6-7-17-18(11-14)26-9-3-8-25-17/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,20,22)