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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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