ethyl (2S,3R)-3-chloranyl-3-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate

Systemtic Name: ethyl (2S,3R)-3-chloranyl-3-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate Openeye Name: ethyl (2S,3R)-3-chloro-3-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate CAS Name: (2S,3R)-3-chloro-3-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-chloro-3-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2S,3R)-3-chloro-3-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]propionic acid ethyl ester Formula: C17H16ClN3O8S MolecularWeight: 457.84224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])Cl)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CC(=CC=C1)[N+](=O)[O-])Cl)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O8S/c1-2-29-17(22)16(15(18)11-6-5-7-12(10-11)20(23)24)19-30(27,28)14-9-4-3-8-13(14)21(25)26/h3-10,15-16,19H,2H2,1H3/t15-,16-/m1/s1