methyl 3-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methylsulfonyloxy-phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methylsulfonyloxy-phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[4-(2-cyano-4-nitro-phenyl)azo-N-(3-methoxy-3-oxo-propyl)-3-methylsulfonyloxy-anilino]propanoate CAS Name: 3-[4-(2-cyano-4-nitrophenyl)azo-N-(3-methoxy-3-oxopropyl)-3-methylsulfonyloxyanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)-3-methylsulfonyloxyanilino]propanoate Traditional Name: 3-[4-(2-cyano-4-nitro-phenyl)azo-N-(3-keto-3-methoxy-propyl)-3-methylsulfonyloxy-anilino]propionic acid methyl ester Formula: C22H23N5O9S MolecularWeight: 533.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OS(=O)(=O)C

Isomeric SMILES

COC(=O)CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OS(=O)(=O)C

InChI

InChI=1S/C22H23N5O9S/c1-34-21(28)8-10-26(11-9-22(29)35-2)16-4-7-19(20(13-16)36-37(3,32)33)25-24-18-6-5-17(27(30)31)12-15(18)14-23/h4-7,12-13H,8-11H2,1-3H3