6-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H21ClN2O7 MolecularWeight: 436.84294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21ClN2O7/c1-27-16-9-12(15(23(25)26)11-17(16)28-2)4-5-22-20(24)13-8-14(21)19-18(10-13)29-6-3-7-30-19/h8-11H,3-7H2,1-2H3,(H,22,24)