3-(2-methylpropoxy)-4-oxidanylidene-2-[(E)-2-pyridin-2-ylethenyl]chromene-6-carboxylic acid

Systemtic Name: 3-(2-methylpropoxy)-4-oxidanylidene-2-[(E)-2-pyridin-2-ylethenyl]chromene-6-carboxylic acid Openeye Name: 3-isobutoxy-4-oxo-2-[(E)-2-(2-pyridyl)vinyl]chromene-6-carboxylic acid CAS Name: 3-(2-methylpropoxy)-4-oxo-2-[(E)-2-(2-pyridinyl)ethenyl]-1-benzopyran-6-carboxylic acid IUPAC Name: 3-(2-methylpropoxy)-4-oxo-2-[(E)-2-pyridin-2-ylethenyl]chromene-6-carboxylic acid Traditional Name: 3-isobutoxy-4-keto-2-[(E)-2-(2-pyridyl)vinyl]chromene-6-carboxylic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C=CC3=CC=CC=N3

Isomeric SMILES

CC(C)COC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C21H19NO5/c1-13(2)12-26-20-18(9-7-15-5-3-4-10-22-15)27-17-8-6-14(21(24)25)11-16(17)19(20)23/h3-11,13H,12H2,1-2H3,(H,24,25)/b9-7+