(E)-2-ethanoyl-3-[(phenylmethyl)amino]pent-2-enedioic acid

Systemtic Name: (E)-2-ethanoyl-3-[(phenylmethyl)amino]pent-2-enedioic acid Openeye Name: (E)-2-acetyl-3-(benzylamino)pent-2-enedioic acid CAS Name: (E)-2-acetyl-3-[(phenylmethyl)amino]-2-pentenedioic acid IUPAC Name: (E)-2-acetyl-3-(benzylamino)pent-2-enedioic acid Traditional Name: (E)-2-acetyl-3-(benzylamino)pent-2-enedioic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CC(=O)O)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)/C(=C(/CC(=O)O)\NCC1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C14H15NO5/c1-9(16)13(14(19)20)11(7-12(17)18)15-8-10-5-3-2-4-6-10/h2-6,15H,7-8H2,1H3,(H,17,18)(H,19,20)/b13-11+