3-oxidanylidenebutan-2-yl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (1-methyl-2-oxo-propyl) 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-keto-1-methyl-propyl) ester Formula: C13H17N3O7S MolecularWeight: 359.35498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)OC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O7S/c1-8(17)9(2)23-13(18)7-15-24(21,22)10-4-5-11(14-3)12(6-10)16(19)20/h4-6,9,14-15H,7H2,1-3H3