2-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]amino]ethyl ethanoate Openeye Name: 2-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]ethyl acetate CAS Name: acetic acid 2-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxyanilino]ethyl ester IUPAC Name: 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate Traditional Name: acetic acid 2-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]ethyl ester Formula: C19H19BrN6O8 MolecularWeight: 539.29356

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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)NCCOC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN6O8/c1-10(27)22-14-8-16(21-4-5-34-11(2)28)18(33-3)9-15(14)23-24-19-13(20)6-12(25(29)30)7-17(19)26(31)32/h6-9,21H,4-5H2,1-3H3,(H,22,27)