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

Systemtic Name: 2-chloranyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-nitro-benzamide Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-12(2)19(13-4-7-17-18(10-13)28-9-3-8-27-17)22-20(24)15-6-5-14(23(25)26)11-16(15)21/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,22,24)