(E)-4-[(2-ethylphenyl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-ethylphenyl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2-ethylphenyl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(2-ethylphenyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-ethylphenyl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(2-ethylbenzyl)amino]-4-keto-but-2-enoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CNC(=O)C=CC(=O)O

Isomeric SMILES

CCC1=CC=CC=C1CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H15NO3/c1-2-10-5-3-4-6-11(10)9-14-12(15)7-8-13(16)17/h3-8H,2,9H2,1H3,(H,14,15)(H,16,17)/b8-7+