(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C17H13Cl2NO6 MolecularWeight: 398.19422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)OC1

InChI

InChI=1S/C17H13Cl2NO6/c18-13-8-11(20(22)23)2-3-12(13)17(21)26-9-10-6-14(19)16-15(7-10)24-4-1-5-25-16/h2-3,6-8H,1,4-5,9H2