[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H17N3O8S MolecularWeight: 411.38648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O8S/c1-26-15-5-4-11(9-13(15)19(22)23)28(24,25)18-8-6-16(21)27-10-14(20)12-3-2-7-17-12/h2-5,7,9,17-18H,6,8,10H2,1H3