methyl (E)-4-oxidanylidene-4-(prop-2-ynylamino)but-2-enoate

Systemtic Name: methyl (E)-4-oxidanylidene-4-(prop-2-ynylamino)but-2-enoate Openeye Name: methyl (E)-4-oxo-4-(prop-2-ynylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(prop-2-ynylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-oxo-4-(prop-2-ynylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(propargylamino)but-2-enoic acid methyl ester Formula: C8H9NO3 MolecularWeight: 167.16196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NCC#C

Isomeric SMILES

COC(=O)/C=C/C(=O)NCC#C

InChI

InChI=1S/C8H9NO3/c1-3-6-9-7(10)4-5-8(11)12-2/h1,4-5H,6H2,2H3,(H,9,10)/b5-4+