methyl (E)-2-cyano-3-[[4-(3-methylbutanoylamino)phenyl]amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[[4-(3-methylbutanoylamino)phenyl]amino]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[4-(3-methylbutanoylamino)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(3-methyl-1-oxobutyl)amino]anilino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[4-(3-methylbutanoylamino)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(isovalerylamino)anilino]acrylic acid methyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC=C(C#N)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)N/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C16H19N3O3/c1-11(2)8-15(20)19-14-6-4-13(5-7-14)18-10-12(9-17)16(21)22-3/h4-7,10-11,18H,8H2,1-3H3,(H,19,20)/b12-10+