4-[5-(1,3-benzothiazol-2-yl)-2-nitro-phenoxy]-3-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile

Systemtic Name: 4-[5-(1,3-benzothiazol-2-yl)-2-nitro-phenoxy]-3-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile Openeye Name: 4-[5-(1,3-benzothiazol-2-yl)-2-nitro-phenoxy]-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile CAS Name: 4-[5-(1,3-benzothiazol-2-yl)-2-nitrophenoxy]-3-oxo-2-[oxo(1-piperidinyl)methyl]pentanenitrile IUPAC Name: 4-[5-(1,3-benzothiazol-2-yl)-2-nitrophenoxy]-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile Traditional Name: 4-[5-(1,3-benzothiazol-2-yl)-2-nitro-phenoxy]-3-keto-2-(piperidine-1-carbonyl)valeronitrile Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C(=O)N1CCCCC1)OC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C(C#N)C(=O)N1CCCCC1)OC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S/c1-15(22(29)17(14-25)24(30)27-11-5-2-6-12-27)33-20-13-16(9-10-19(20)28(31)32)23-26-18-7-3-4-8-21(18)34-23/h3-4,7-10,13,15,17H,2,5-6,11-12H2,1H3