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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-12-4-6-14(7-5-12)27-13(2)19(22)20-15-10-17-18(11-16(15)21(23)24)26-9-3-8-25-17/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,20,22)/t13-/m1/s1