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

Systemtic Name: (E)-3-[(phenylmethyl)amino]pent-2-enedioic acid Openeye Name: (E)-3-(benzylamino)pent-2-enedioic acid CAS Name: (E)-3-[(phenylmethyl)amino]-2-pentenedioic acid IUPAC Name: (E)-3-(benzylamino)pent-2-enedioic acid Traditional Name: (E)-3-(benzylamino)pent-2-enedioic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN/C(=C/C(=O)O)/CC(=O)O

InChI

InChI=1S/C12H13NO4/c14-11(15)6-10(7-12(16)17)13-8-9-4-2-1-3-5-9/h1-6,13H,7-8H2,(H,14,15)(H,16,17)/b10-6+