3-[[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]propyl ethanoate

Systemtic Name: 3-[[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]propyl ethanoate Openeye Name: 3-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-ethyl-2-methoxy-anilino]propyl acetate CAS Name: acetic acid 3-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-ethyl-2-methoxyanilino]propyl ester IUPAC Name: 3-[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propyl acetate Traditional Name: acetic acid 3-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-ethyl-2-methoxy-anilino]propyl ester Formula: C22H26N6O8 MolecularWeight: 502.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOC(=O)C)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCN(CCCOC(=O)C)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N6O8/c1-5-26(9-6-10-36-15(3)30)21-12-18(23-14(2)29)19(13-22(21)35-4)25-24-17-8-7-16(27(31)32)11-20(17)28(33)34/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,29)