3-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C21H21N3O8S MolecularWeight: 475.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O8S/c1-2-31-19-8-5-14(11-17(19)24(27)28)18(25)13-23-16-7-6-15(12-20(16)32-21(23)26)33(29,30)22-9-3-4-10-22/h5-8,11-12H,2-4,9-10,13H2,1H3