2-methoxyethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]propanoate

Systemtic Name: 2-methoxyethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]propanoate Openeye Name: 2-methoxyethyl 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-2-methoxy-anilino]propanoate CAS Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-N-ethyl-2-methoxyanilino]propanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propanoate Traditional Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-2-methoxy-anilino]propionic acid 2-methoxyethyl ester Formula: C23H27BrN6O9 MolecularWeight: 611.39928

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCCOC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCN(CCC(=O)OCCOC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C23H27BrN6O9/c1-5-28(7-6-22(32)39-9-8-37-3)19-12-17(25-14(2)31)18(13-21(19)38-4)26-27-23-16(24)10-15(29(33)34)11-20(23)30(35)36/h10-13H,5-9H2,1-4H3,(H,25,31)