5-nitro-2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]benzaldehyde

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]benzaldehyde Openeye Name: 5-nitro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzaldehyde CAS Name: 5-nitro-2-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethoxy]benzaldehyde IUPAC Name: 5-nitro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzaldehyde Traditional Name: 2-[2-keto-2-[4-(2-thenoyl)piperazino]ethoxy]-5-nitro-benzaldehyde Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H17N3O6S/c22-11-13-10-14(21(25)26)3-4-15(13)27-12-17(23)19-5-7-20(8-6-19)18(24)16-2-1-9-28-16/h1-4,9-11H,5-8,12H2