1-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-phenyl]ethanone Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

InChI

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