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

Systemtic Name: methyl 3-[[3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]phenyl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[3-acetamido-4-(2,4-dinitrophenyl)azo-N-(3-methoxy-3-oxo-propyl)anilino]propanoate CAS Name: 3-[3-acetamido-4-(2,4-dinitrophenyl)azo-N-(3-methoxy-3-oxopropyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)anilino]propanoate Traditional Name: 3-[3-acetamido-4-(2,4-dinitrophenyl)azo-N-(3-keto-3-methoxy-propyl)anilino]propionic acid methyl ester Formula: C22H24N6O9 MolecularWeight: 516.46076

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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-])[N+](=O)[O-]

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-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O9/c1-14(29)23-19-12-15(26(10-8-21(30)36-2)11-9-22(31)37-3)4-6-17(19)24-25-18-7-5-16(27(32)33)13-20(18)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)