N-(5-nitro-1,3-thiazol-2-yl)-2-phenyl-butanamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-2-phenyl-butanamide Openeye Name: N-(5-nitrothiazol-2-yl)-2-phenyl-butanamide CAS Name: N-(5-nitro-2-thiazolyl)-2-phenylbutanamide IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)-2-phenylbutanamide Traditional Name: N-(5-nitrothiazol-2-yl)-2-phenyl-butyramide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-2-10(9-6-4-3-5-7-9)12(17)15-13-14-8-11(20-13)16(18)19/h3-8,10H,2H2,1H3,(H,14,15,17)