N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C23H19N3O6S MolecularWeight: 465.47846

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O6S/c27-22(24-17-6-9-20-21(13-17)32-11-10-31-20)14-33-19-3-1-2-16(12-19)25-23(28)15-4-7-18(8-5-15)26(29)30/h1-9,12-13H,10-11,14H2,(H,24,27)(H,25,28)