(6-chloranylpyridin-3-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-3-pyridyl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid (6-chloro-3-pyridyl)methyl ester Formula: C16H16ClN3O7S MolecularWeight: 429.83214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CN=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O7S/c1-26-14-4-3-12(8-13(14)20(22)23)28(24,25)19-7-6-16(21)27-10-11-2-5-15(17)18-9-11/h2-5,8-9,19H,6-7,10H2,1H3