(2S)-2-(3-methylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide

Systemtic Name: (2S)-2-(3-methylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide Openeye Name: (2S)-2-(3-methylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide CAS Name: (2S)-2-(3-methylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide IUPAC Name: (2S)-2-(3-methylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide Traditional Name: (2S)-2-(3-methylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propionamide Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C19H20N2O6/c1-12-5-3-6-14(9-12)27-13(2)19(22)20-15-10-17-18(11-16(15)21(23)24)26-8-4-7-25-17/h3,5-6,9-11,13H,4,7-8H2,1-2H3,(H,20,22)/t13-/m0/s1