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

Systemtic Name: 6-chloranyl-8-[(5-methyl-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 6-chloro-8-[(5-methyl-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 6-chloro-8-[(5-methyl-2-nitrophenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 6-chloro-8-[(5-methyl-2-nitrophenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 6-chloro-8-[(5-methyl-2-nitro-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H16ClNO5/c1-11-3-4-14(19(20)21)15(7-11)24-10-12-8-13(18)17-16(9-12)22-5-2-6-23-17/h3-4,7-9H,2,5-6,10H2,1H3