(2-methoxy-5-nitro-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H16ClNO7 MolecularWeight: 393.77514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO7/c1-24-15-4-3-13(20(22)23)7-12(15)10-27-18(21)11-8-14(19)17-16(9-11)25-5-2-6-26-17/h3-4,7-9H,2,5-6,10H2,1H3