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

Systemtic Name: methyl 3-[[3-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoate Openeye Name: methyl 3-[3-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-anilino]propanoate CAS Name: 3-[3-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-N-ethylanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethylanilino]propanoate Traditional Name: 3-[3-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-anilino]propionic acid methyl ester Formula: C20H21BrN6O7 MolecularWeight: 537.32074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN6O7/c1-4-25(8-7-19(29)34-3)13-5-6-16(17(10-13)22-12(2)28)23-24-20-15(21)9-14(26(30)31)11-18(20)27(32)33/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,28)