(2S)-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(E)-4-oxo-4-phenyl-but-2-enoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(E)-1,4-dioxo-4-phenylbut-2-enyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(E)-4-keto-4-phenyl-but-2-enoyl]amino]succinic acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO6/c16-11(9-4-2-1-3-5-9)6-7-12(17)15-10(14(20)21)8-13(18)19/h1-7,10H,8H2,(H,15,17)(H,18,19)(H,20,21)/b7-6+/t10-/m0/s1