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

Systemtic Name: 7-(4-methoxy-2-nitro-phenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 7-(4-methoxy-2-nitro-phenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 7-[(4-methoxy-2-nitrophenyl)thio]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 7-(4-methoxy-2-nitrophenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 7-[(4-methoxy-2-nitro-phenyl)thio]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-20-11-3-6-16(13(9-11)17(18)19)23-12-4-5-14-15(10-12)22-8-2-7-21-14/h3-6,9-10H,2,7-8H2,1H3