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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-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 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H20ClNO8 MolecularWeight: 437.8277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20ClNO8/c1-3-27-17-9-13(15(22(24)25)10-16(17)26-2)20(23)30-11-12-7-14(21)19-18(8-12)28-5-4-6-29-19/h7-10H,3-6,11H2,1-2H3