(2Z)-2-[3-(2-chlorophenyl)carbonyl-1H-pyridin-2-ylidene]-1-pyridin-4-yl-ethanone; 4-methylbenzoic acid

Systemtic Name: (2Z)-2-[3-(2-chlorophenyl)carbonyl-1H-pyridin-2-ylidene]-1-pyridin-4-yl-ethanone; 4-methylbenzoic acid Openeye Name: (2Z)-2-[3-(2-chlorobenzoyl)-1H-pyridin-2-ylidene]-1-(4-pyridyl)ethanone; 4-methylbenzoic acid CAS Name: (2Z)-2-[3-[(2-chlorophenyl)-oxomethyl]-1H-pyridin-2-ylidene]-1-pyridin-4-ylethanone; 4-methylbenzoic acid IUPAC Name: (2Z)-2-[3-(2-chlorobenzoyl)-1H-pyridin-2-ylidene]-1-pyridin-4-ylethanone; 4-methylbenzoic acid Traditional Name: (2Z)-2-[3-(2-chlorobenzoyl)-1H-pyridin-2-ylidene]-1-(4-pyridyl)ethanone; p-toluic acid Formula: C27H21ClN2O4 MolecularWeight: 472.91964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C(=C1)C(=O)C2=CC=CNC2=CC(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C(=C1)C(=O)C\2=CC=CN/C2=C\C(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C19H13ClN2O2.C8H8O2/c20-16-6-2-1-4-14(16)19(24)15-5-3-9-22-17(15)12-18(23)13-7-10-21-11-8-13;1-6-2-4-7(5-3-6)8(9)10/h1-12,22H;2-5H,1H3,(H,9,10)/b17-12-;