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

Systemtic Name: 2-methoxyethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]amino]propanoate Openeye Name: 2-methoxyethyl 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]propanoate CAS Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxyanilino]propanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate Traditional Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]propionic acid 2-methoxyethyl ester Formula: C21H23BrN6O9 MolecularWeight: 583.34612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)NCCC(=O)OCCOC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)NCCC(=O)OCCOC

InChI

InChI=1S/C21H23BrN6O9/c1-12(29)24-15-10-17(23-5-4-20(30)37-7-6-35-2)19(36-3)11-16(15)25-26-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11,23H,4-7H2,1-3H3,(H,24,29)