(E)-4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enyl]-(phenylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enyl]-(phenylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-[benzyl-[(E)-4-hydroxy-4-oxo-but-2-enyl]amino]but-2-enoic acid CAS Name: (E)-4-[[(E)-4-hydroxy-4-oxobut-2-enyl]-(phenylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-[benzyl-[(E)-4-hydroxy-4-oxobut-2-enyl]amino]but-2-enoic acid Traditional Name: (E)-4-[benzyl-[(E)-4-hydroxy-4-keto-but-2-enyl]amino]but-2-enoic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c17-14(18)8-4-10-16(11-5-9-15(19)20)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,17,18)(H,19,20)/b8-4+,9-5+