2-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylic acid Openeye Name: 2-[(E)-2-(6-methyl-2-pyridyl)vinyl]-4-oxo-3-propyl-chromene-6-carboxylic acid CAS Name: 2-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-4-oxo-3-propylchromene-6-carboxylic acid Traditional Name: 4-keto-2-[(E)-2-(6-methyl-2-pyridyl)vinyl]-3-propyl-chromene-6-carboxylic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C=CC3=NC(=CC=C3)C

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)/C=C/C3=NC(=CC=C3)C

InChI

InChI=1S/C21H19NO4/c1-3-5-16-18(11-9-15-7-4-6-13(2)22-15)26-19-10-8-14(21(24)25)12-17(19)20(16)23/h4,6-12H,3,5H2,1-2H3,(H,24,25)/b11-9+