4-[[3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[2-keto-3-[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C21H20N4O9S MolecularWeight: 504.4699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O9S/c1-33-19-5-2-14(10-17(19)25(29)30)18(27)12-24-16-4-3-15(11-20(16)34-21(24)28)35(31,32)23-8-6-22(13-26)7-9-23/h2-5,10-11,13H,6-9,12H2,1H3