methyl 4-[(4-methylphenyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[(4-methylphenyl)amino]but-2-ynoate Openeye Name: methyl 4-(4-methylanilino)but-2-ynoate CAS Name: 4-(4-methylanilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(4-methylanilino)but-2-ynoate Traditional Name: 4-(p-toluidino)but-2-ynoic acid methyl ester Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC#CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NCC#CC(=O)OC

InChI

InChI=1S/C12H13NO2/c1-10-5-7-11(8-6-10)13-9-3-4-12(14)15-2/h5-8,13H,9H2,1-2H3