methyl (2S)-2-[[5-acetamido-4-[(2-chloranyl-6-cyano-4-nitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-methoxy-2-oxidanylidene-ethyl)amino]propanoate

Systemtic Name: methyl (2S)-2-[[5-acetamido-4-[(2-chloranyl-6-cyano-4-nitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-methoxy-2-oxidanylidene-ethyl)amino]propanoate Openeye Name: methyl (2S)-2-[5-acetamido-4-(2-chloro-6-cyano-4-nitro-phenyl)azo-2-methoxy-N-(2-methoxy-2-oxo-ethyl)anilino]propanoate CAS Name: (2S)-2-[5-acetamido-4-(2-chloro-6-cyano-4-nitrophenyl)azo-2-methoxy-N-(2-methoxy-2-oxoethyl)anilino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[5-acetamido-4-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-2-methoxy-N-(2-methoxy-2-oxoethyl)anilino]propanoate Traditional Name: (2S)-2-[5-acetamido-4-(2-chloro-6-cyano-4-nitro-phenyl)azo-N-(2-keto-2-methoxy-ethyl)-2-methoxy-anilino]propionic acid methyl ester Formula: C23H23ClN6O8 MolecularWeight: 546.91712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC(=O)OC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Cl)OC

Isomeric SMILES

C[C@@H](C(=O)OC)N(CC(=O)OC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C23H23ClN6O8/c1-12(23(33)38-5)29(11-21(32)37-4)19-8-17(26-13(2)31)18(9-20(19)36-3)27-28-22-14(10-25)6-15(30(34)35)7-16(22)24/h6-9,12H,11H2,1-5H3,(H,26,31)/t12-/m0/s1