[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C#N

InChI

InChI=1S/C18H21N3O3/c1-5-10-20-17(22)13(2)24-18(23)15(12-19)11-14-6-8-16(9-7-14)21(3)4/h5-9,11,13H,1,10H2,2-4H3,(H,20,22)/b15-11+/t13-/m1/s1