3-(9-methoxybenzo[g][1,2]benzoxazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile

Systemtic Name: 3-(9-methoxybenzo[g][1,2]benzoxazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(9-methoxybenzo[g][1,2]benzoxazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(9-methoxy-3-benzo[g][1,2]benzoxazolyl)-3-oxopropanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(9-methoxybenzo[g][1,2]benzoxazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-besyl-3-keto-3-(9-methoxybenz[g]indoxazen-3-yl)propionitrile Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(C=C2)C(=NO3)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C3=C(C=C2)C(=NO3)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14N2O5S/c1-27-16-9-5-6-13-10-11-15-19(23-28-21(15)18(13)16)20(24)17(12-22)29(25,26)14-7-3-2-4-8-14/h2-11,17H,1H3