2-[[5-acetamido-4-[(2-bromanyl-3,5-dinitro-phenyl)diazenyl]-2-ethoxy-phenyl]-(2-acetyloxyethyl)amino]ethyl ethanoate

Systemtic Name: 2-[[5-acetamido-4-[(2-bromanyl-3,5-dinitro-phenyl)diazenyl]-2-ethoxy-phenyl]-(2-acetyloxyethyl)amino]ethyl ethanoate Openeye Name: 2-[5-acetamido-N-(2-acetoxyethyl)-4-(2-bromo-3,5-dinitro-phenyl)azo-2-ethoxy-anilino]ethyl acetate CAS Name: acetic acid 2-[5-acetamido-N-(2-acetyloxyethyl)-4-(2-bromo-3,5-dinitrophenyl)azo-2-ethoxyanilino]ethyl ester IUPAC Name: 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-3,5-dinitrophenyl)diazenyl]-2-ethoxyanilino]ethyl acetate Traditional Name: acetic acid 2-[5-acetamido-N-(2-acetoxyethyl)-4-(2-bromo-3,5-dinitro-phenyl)azo-2-ethoxy-anilino]ethyl ester Formula: C24H27BrN6O10 MolecularWeight: 639.40938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)N=NC2=CC(=CC(=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCOC(=O)C)CCOC(=O)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)N=NC2=CC(=CC(=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCOC(=O)C)CCOC(=O)C

InChI

InChI=1S/C24H27BrN6O10/c1-5-39-23-13-19(27-28-20-10-17(30(35)36)11-22(24(20)25)31(37)38)18(26-14(2)32)12-21(23)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)