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

Systemtic Name: methyl 3-[[3-acetamido-4-[(4-nitrophenyl)diazenyl]phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[3-acetamido-N-(3-methoxy-3-oxo-propyl)-4-(4-nitrophenyl)azo-anilino]propanoate CAS Name: 3-[3-acetamido-N-(3-methoxy-3-oxopropyl)-4-(4-nitrophenyl)azoanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetamido-N-(3-methoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate Traditional Name: 3-[3-acetamido-N-(3-keto-3-methoxy-propyl)-4-(4-nitrophenyl)azo-anilino]propionic acid methyl ester Formula: C22H25N5O7 MolecularWeight: 471.4632

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=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O7/c1-15(28)23-20-14-18(26(12-10-21(29)33-2)13-11-22(30)34-3)8-9-19(20)25-24-16-4-6-17(7-5-16)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)