6-chloranyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine

Systemtic Name: 6-chloranyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 6-chloro-8-[(4-methoxy-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 6-chloro-8-[(4-methoxy-2-nitrophenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 6-chloro-8-[(4-methoxy-2-nitrophenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 6-chloro-8-[(4-methoxy-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C17H16ClNO6 MolecularWeight: 365.76504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClNO6/c1-22-12-3-4-15(14(9-12)19(20)21)25-10-11-7-13(18)17-16(8-11)23-5-2-6-24-17/h3-4,7-9H,2,5-6,10H2,1H3