(E)-4-(4-chloranylphenoxy)-4-oxidanylidene-but-2-enoic acid; N,N-dimethyl-3-pyridin-2-yl-propan-1-amine

Systemtic Name: (E)-4-(4-chloranylphenoxy)-4-oxidanylidene-but-2-enoic acid; N,N-dimethyl-3-pyridin-2-yl-propan-1-amine Openeye Name: (E)-4-(4-chlorophenoxy)-4-oxo-but-2-enoic acid; N,N-dimethyl-3-(2-pyridyl)propan-1-amine CAS Name: (E)-4-(4-chlorophenoxy)-4-oxo-2-butenoic acid; N,N-dimethyl-3-(2-pyridinyl)-1-propanamine IUPAC Name: (E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid; N,N-dimethyl-3-pyridin-2-ylpropan-1-amine Traditional Name: (E)-4-(4-chlorophenoxy)-4-keto-but-2-enoic acid; dimethyl-[3-(2-pyridyl)propyl]amine Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=CC=CC=N1.C1=CC(=CC=C1OC(=O)C=CC(=O)O)Cl

Isomeric SMILES

CN(C)CCCC1=CC=CC=N1.C1=CC(=CC=C1OC(=O)/C=C/C(=O)O)Cl

InChI

InChI=1S/C10H7ClO4.C10H16N2/c11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13;1-12(2)9-5-7-10-6-3-4-8-11-10/h1-6H,(H,12,13);3-4,6,8H,5,7,9H2,1-2H3/b6-5+;