2-[2-(4-fluorophenyl)-4-(3-methyl-6-nitro-2-oxidanylidene-1,3-benzothiazol-4-yl)piperidin-1-yl]ethanal

Systemtic Name: 2-[2-(4-fluorophenyl)-4-(3-methyl-6-nitro-2-oxidanylidene-1,3-benzothiazol-4-yl)piperidin-1-yl]ethanal Openeye Name: 2-[2-(4-fluorophenyl)-4-(3-methyl-6-nitro-2-oxo-1,3-benzothiazol-4-yl)-1-piperidyl]acetaldehyde CAS Name: 2-[2-(4-fluorophenyl)-4-(3-methyl-6-nitro-2-oxo-1,3-benzothiazol-4-yl)-1-piperidinyl]acetaldehyde IUPAC Name: 2-[2-(4-fluorophenyl)-4-(3-methyl-6-nitro-2-oxo-1,3-benzothiazol-4-yl)piperidin-1-yl]acetaldehyde Traditional Name: 2-[2-(4-fluorophenyl)-4-(2-keto-3-methyl-6-nitro-1,3-benzothiazol-4-yl)piperidino]acetaldehyde Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C3CCN(C(C3)C4=CC=C(C=C4)F)CC=O)[N+](=O)[O-])SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2C3CCN(C(C3)C4=CC=C(C=C4)F)CC=O)[N+](=O)[O-])SC1=O

InChI

InChI=1S/C21H20FN3O4S/c1-23-20-17(11-16(25(28)29)12-19(20)30-21(23)27)14-6-7-24(8-9-26)18(10-14)13-2-4-15(22)5-3-13/h2-5,9,11-12,14,18H,6-8,10H2,1H3