2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-pyridine

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-pyridine Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-pyridine CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-5-nitropyridine IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitropyridine Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-5-nitro-pyridine Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=NC=C(C=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=NC=C(C=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C14H12N2O4S/c17-16(18)10-2-5-14(15-9-10)21-11-3-4-12-13(8-11)20-7-1-6-19-12/h2-5,8-9H,1,6-7H2