(E)-4-[bis(2-methylpropyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[bis(2-methylpropyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(diisobutylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[bis(2-methylpropyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[bis(2-methylpropyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(diisobutylamino)-4-keto-but-2-enoic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO3/c1-9(2)7-13(8-10(3)4)11(14)5-6-12(15)16/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)/b6-5+