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

Systemtic Name: (E)-2-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-(benzylamino)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-2-methyl-4-oxo-4-[(phenylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-(benzylamino)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(benzylamino)-4-keto-2-methyl-but-2-enoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-9(12(15)16)7-11(14)13-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/b9-7+