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

Systemtic Name: methyl 3-[[3-acetamido-4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[3-acetamido-4-(2-chloro-4-nitro-phenyl)azo-N-(3-methoxy-3-oxo-propyl)anilino]propanoate CAS Name: 3-[3-acetamido-4-(2-chloro-4-nitrophenyl)azo-N-(3-methoxy-3-oxopropyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)anilino]propanoate Traditional Name: 3-[3-acetamido-4-(2-chloro-4-nitro-phenyl)azo-N-(3-keto-3-methoxy-propyl)anilino]propionic acid methyl ester Formula: C22H24ClN5O7 MolecularWeight: 505.90826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN5O7/c1-14(29)24-20-13-15(27(10-8-21(30)34-2)11-9-22(31)35-3)4-7-19(20)26-25-18-6-5-16(28(32)33)12-17(18)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)