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

Systemtic Name: methyl 3-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methyl-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-methyl-anilino]propanoate CAS Name: 3-[4-(2-cyano-4-nitrophenyl)azo-N-(3-methoxy-3-oxopropyl)-3-methylanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)-3-methylanilino]propanoate Traditional Name: 3-[4-(2-cyano-4-nitro-phenyl)azo-N-(3-keto-3-methoxy-propyl)-3-methyl-anilino]propionic acid methyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H23N5O6/c1-15-12-17(26(10-8-21(28)32-2)11-9-22(29)33-3)4-6-19(15)24-25-20-7-5-18(27(30)31)13-16(20)14-23/h4-7,12-13H,8-11H2,1-3H3