methyl 3-[[4-[(2-bromanyl-6-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[[4-[(2-bromanyl-6-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[4-(2-bromo-6-chloro-4-nitro-phenyl)azo-N-(3-methoxy-3-oxo-propyl)anilino]propanoate CAS Name: 3-[4-(2-bromo-6-chloro-4-nitrophenyl)azo-N-(3-methoxy-3-oxopropyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)anilino]propanoate Traditional Name: 3-[4-(2-bromo-6-chloro-4-nitro-phenyl)azo-N-(3-keto-3-methoxy-propyl)anilino]propionic acid methyl ester Formula: C20H20BrClN4O6 MolecularWeight: 527.753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20BrClN4O6/c1-31-18(27)7-9-25(10-8-19(28)32-2)14-5-3-13(4-6-14)23-24-20-16(21)11-15(26(29)30)12-17(20)22/h3-6,11-12H,7-10H2,1-2H3