1-cyanoethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 1-cyanoethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 1-cyanoethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 1-cyanoethyl ester Formula: C12H14N4O6S MolecularWeight: 342.32776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O6S/c1-8(6-13)22-12(17)7-15-23(20,21)9-3-4-10(14-2)11(5-9)16(18)19/h3-5,8,14-15H,7H2,1-2H3