prop-2-ynyl 4-[(4-iodophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: prop-2-ynyl 4-[(4-iodophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: prop-2-ynyl 4-(4-iodoanilino)-4-oxo-butanoate CAS Name: 4-(4-iodoanilino)-4-oxobutanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-(4-iodoanilino)-4-oxobutanoate Traditional Name: 4-(4-iodoanilino)-4-keto-butyric acid propargyl ester Formula: C13H12INO3 MolecularWeight: 357.14375

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCC(=O)NC1=CC=C(C=C1)I

Isomeric SMILES

C#CCOC(=O)CCC(=O)NC1=CC=C(C=C1)I

InChI

InChI=1S/C13H12INO3/c1-2-9-18-13(17)8-7-12(16)15-11-5-3-10(14)4-6-11/h1,3-6H,7-9H2,(H,15,16)