(3S)-N'-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3S)-N'-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3S)-N'-(5-nitrobenzothiophene-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3S)-N'-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3S)-N'-(5-nitro-1-benzothiophene-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3S)-N'-(5-nitrobenzothiophene-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c22-17(14-9-26-12-3-1-2-4-13(12)27-14)19-20-18(23)16-8-10-7-11(21(24)25)5-6-15(10)28-16/h1-8,14H,9H2,(H,19,22)(H,20,23)/t14-/m0/s1