methyl 3-acetamido-4-(5-methoxy-5-oxidanylidene-pent-1-ynyl)benzoate

Systemtic Name: methyl 3-acetamido-4-(5-methoxy-5-oxidanylidene-pent-1-ynyl)benzoate Openeye Name: methyl 3-acetamido-4-(5-methoxy-5-oxo-pent-1-ynyl)benzoate CAS Name: 3-acetamido-4-(5-methoxy-5-oxopent-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(5-methoxy-5-oxopent-1-ynyl)benzoate Traditional Name: 3-acetamido-4-(5-keto-5-methoxy-pent-1-ynyl)benzoic acid methyl ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C#CCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C#CCCC(=O)OC

InChI

InChI=1S/C16H17NO5/c1-11(18)17-14-10-13(16(20)22-3)9-8-12(14)6-4-5-7-15(19)21-2/h8-10H,5,7H2,1-3H3,(H,17,18)