N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-4-methoxy-5-[(6-methoxy-5-oxidanyl-hex-1-en-3-yl)amino]phenyl]ethanamide

Systemtic Name: N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-4-methoxy-5-[(6-methoxy-5-oxidanyl-hex-1-en-3-yl)amino]phenyl]ethanamide Openeye Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-5-[(3-hydroxy-4-methoxy-1-vinyl-butyl)amino]-4-methoxy-phenyl]acetamide CAS Name: N-[2-(2-bromo-4,6-dinitrophenyl)azo-5-[(5-hydroxy-6-methoxyhex-1-en-3-yl)amino]-4-methoxyphenyl]acetamide IUPAC Name: N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(5-hydroxy-6-methoxyhex-1-en-3-yl)amino]-4-methoxyphenyl]acetamide Traditional Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-5-[1-(2-hydroxy-3-methoxy-propyl)allylamino]-4-methoxy-phenyl]acetamide Formula: C22H25BrN6O8 MolecularWeight: 581.3733

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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)NC(CC(COC)O)C=C

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN6O8/c1-5-13(6-15(31)11-36-3)25-19-9-17(24-12(2)30)18(10-21(19)37-4)26-27-22-16(23)7-14(28(32)33)8-20(22)29(34)35/h5,7-10,13,15,25,31H,1,6,11H2,2-4H3,(H,24,30)