(E)-2-acetamido-3-(4-azanyl-3-ethyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(4-azanyl-3-ethyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-amino-3-ethyl-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-amino-3-ethylphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-amino-3-ethylphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-amino-3-ethyl-phenyl)acrylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C=C(C(=O)O)NC(=O)C)N

Isomeric SMILES

CCC1=C(C=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)N

InChI

InChI=1S/C13H16N2O3/c1-3-10-6-9(4-5-11(10)14)7-12(13(17)18)15-8(2)16/h4-7H,3,14H2,1-2H3,(H,15,16)(H,17,18)/b12-7+