(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid; [1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]methanol

Systemtic Name: (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid; [1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]methanol Openeye Name: (E)-4-methoxy-4-oxo-but-2-enoic acid; [1-[methyl(4-pyridyl)amino]pyrrol-2-yl]methanol CAS Name: (E)-4-methoxy-4-oxo-2-butenoic acid; [1-[methyl(pyridin-4-yl)amino]-2-pyrrolyl]methanol IUPAC Name: (E)-4-methoxy-4-oxobut-2-enoic acid; [1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]methanol Traditional Name: (E)-4-keto-4-methoxy-but-2-enoic acid; [1-[methyl(4-pyridyl)amino]pyrrol-2-yl]methanol Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC=C1)N2C=CC=C2CO.COC(=O)C=CC(=O)O

Isomeric SMILES

CN(C1=CC=NC=C1)N2C=CC=C2CO.COC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H13N3O.C5H6O4/c1-13(10-4-6-12-7-5-10)14-8-2-3-11(14)9-15;1-9-5(8)3-2-4(6)7/h2-8,15H,9H2,1H3;2-3H,1H3,(H,6,7)/b;3-2+