[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N4O8S MolecularWeight: 476.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O8S/c1-31-18-8-7-16(13-17(18)24(27)28)33(29,30)22-11-9-20(26)32-14-19(25)23(12-10-21)15-5-3-2-4-6-15/h2-8,13,22H,9,11-12,14H2,1H3