ethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]amino]butanoate

Systemtic Name: ethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]amino]butanoate Openeye Name: ethyl 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]butanoate CAS Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxyanilino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]butanoate Traditional Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]butyric acid ethyl ester Formula: C21H23BrN6O8 MolecularWeight: 567.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C21H23BrN6O8/c1-5-36-20(30)6-11(2)23-17-9-15(24-12(3)29)16(10-19(17)35-4)25-26-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h7-11,23H,5-6H2,1-4H3,(H,24,29)