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

Systemtic Name: 2-oxidanylidenepropyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: acetonyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid acetonyl ester Formula: C12H15N3O7S MolecularWeight: 345.3284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O7S/c1-8(16)7-22-12(17)6-14-23(20,21)9-3-4-10(13-2)11(5-9)15(18)19/h3-5,13-14H,6-7H2,1-2H3