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

Systemtic Name: methyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-ethoxy-phenyl]amino]propanoate Openeye Name: methyl 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-ethoxy-anilino]propanoate CAS Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-ethoxyanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyanilino]propanoate Traditional Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-ethoxy-anilino]propionic acid methyl ester Formula: C20H21BrN6O8 MolecularWeight: 553.32014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)NCCC(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)NCCC(=O)OC

InChI

InChI=1S/C20H21BrN6O8/c1-4-35-18-10-15(14(23-11(2)28)9-16(18)22-6-5-19(29)34-3)24-25-20-13(21)7-12(26(30)31)8-17(20)27(32)33/h7-10,22H,4-6H2,1-3H3,(H,23,28)