(2-methoxy-5-nitro-phenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H22N2O8S MolecularWeight: 438.45158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N2O8S/c1-3-28-16-5-7-17(8-6-16)30(25,26)20-11-10-19(22)29-13-14-12-15(21(23)24)4-9-18(14)27-2/h4-9,12,20H,3,10-11,13H2,1-2H3