4-[[3-[(4-nitrophenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-[(4-nitrophenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[(4-nitrophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[(4-nitrophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[(4-nitrophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[2-keto-3-(4-nitrobenzyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C=O)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7S/c24-13-20-7-9-21(10-8-20)31(28,29)16-5-6-17-18(11-16)30-19(25)22(17)12-14-1-3-15(4-2-14)23(26)27/h1-6,11,13H,7-10,12H2