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

Systemtic Name: 2-chloranyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-nitro-benzamide Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5/c1-11(12-3-6-16-17(9-12)26-8-2-7-25-16)20-18(22)14-5-4-13(21(23)24)10-15(14)19/h3-6,9-11H,2,7-8H2,1H3,(H,20,22)