ethyl 4-[[[4-(3-oxidanylprop-2-ynoyl)phenyl]amino]diazenyl]benzoate

Systemtic Name: ethyl 4-[[[4-(3-oxidanylprop-2-ynoyl)phenyl]amino]diazenyl]benzoate Openeye Name: ethyl 4-[4-(3-hydroxyprop-2-ynoyl)anilino]azobenzoate CAS Name: 4-[4-(3-hydroxy-1-oxoprop-2-ynyl)anilino]azobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-hydroxyprop-2-ynoyl)anilino]diazenyl]benzoate Traditional Name: 4-[4-(3-hydroxypropioloyl)anilino]azobenzoic acid ethyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NNC2=CC=C(C=C2)C(=O)C#CO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NNC2=CC=C(C=C2)C(=O)C#CO

InChI

InChI=1S/C18H15N3O4/c1-2-25-18(24)14-5-9-16(10-6-14)20-21-19-15-7-3-13(4-8-15)17(23)11-12-22/h3-10,22H,2H2,1H3,(H,19,20)