(phenylmethyl) 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: benzyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid benzyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-25-16-8-7-14(11-15(16)19(21)22)27(23,24)18-10-9-17(20)26-12-13-5-3-2-4-6-13/h2-8,11,18H,9-10,12H2,1H3