2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-[(2-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-[(2-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-nitroanilino)ethyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-nitroanilino)ethyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(2-nitroanilino)ethyl]acetamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c22-18(12-27-13-5-6-16-17(11-13)26-10-9-25-16)20-8-7-19-14-3-1-2-4-15(14)21(23)24/h1-6,11,19H,7-10,12H2,(H,20,22)