(E)-4-oxidanylidene-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoate Openeye Name: (E)-4-[isopropyl(3-pyridylmethyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[propan-2-yl(3-pyridinylmethyl)amino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoate Traditional Name: (E)-4-[isopropyl(3-pyridylmethyl)amino]-4-keto-but-2-enoate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CN=CC=C1)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CN=CC=C1)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-10(2)15(12(16)5-6-13(17)18)9-11-4-3-7-14-8-11/h3-8,10H,9H2,1-2H3,(H,17,18)/p-1/b6-5+