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

Systemtic Name: 4-[[3-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[3-[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]-2-keto-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C22H22N4O9S MolecularWeight: 518.49648

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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)N4CCN(CC4)C=O)OC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=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/C22H22N4O9S/c1-2-34-20-6-3-15(11-18(20)26(30)31)19(28)13-25-17-5-4-16(12-21(17)35-22(25)29)36(32,33)24-9-7-23(14-27)8-10-24/h3-6,11-12,14H,2,7-10,13H2,1H3