(2-methoxy-5-nitro-phenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H17NO7/c1-23-15-6-4-14(19(21)22)9-13(15)11-26-18(20)12-3-5-16-17(10-12)25-8-2-7-24-16/h3-6,9-10H,2,7-8,11H2,1H3