2-acetamido-N-(2-chloranyl-4-nitro-phenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-acetamido-N-(2-chloranyl-4-nitro-phenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-acetamido-N-(2-chloro-4-nitro-phenyl)-4-methylsulfonyl-butanamide CAS Name: 2-acetamido-N-(2-chloro-4-nitrophenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-acetamido-N-(2-chloro-4-nitrophenyl)-4-methylsulfonylbutanamide Traditional Name: 2-acetamido-N-(2-chloro-4-nitro-phenyl)-4-mesyl-butyramide Formula: C13H16ClN3O6S MolecularWeight: 377.80064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O6S/c1-8(18)15-12(5-6-24(2,22)23)13(19)16-11-4-3-9(17(20)21)7-10(11)14/h3-4,7,12H,5-6H2,1-2H3,(H,15,18)(H,16,19)