N,N-diethyl-3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N,N-diethyl-3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N,N-diethyl-3-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N,N-diethyl-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N,N-diethyl-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N,N-diethyl-2-keto-3-[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]-1,3-benzoxazole-6-sulfonamide Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c1-4-21(5-2)32(28,29)14-7-8-15-19(11-14)31-20(25)22(15)12-17(24)13-6-9-18(30-3)16(10-13)23(26)27/h6-11H,4-5,12H2,1-3H3