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

Systemtic Name: 3-butoxy-4-oxidanylidene-2-[(E)-2-pyridin-2-ylethenyl]chromene-6-carboxylic acid Openeye Name: 3-butoxy-4-oxo-2-[(E)-2-(2-pyridyl)vinyl]chromene-6-carboxylic acid CAS Name: 3-butoxy-4-oxo-2-[(E)-2-(2-pyridinyl)ethenyl]-1-benzopyran-6-carboxylic acid IUPAC Name: 3-butoxy-4-oxo-2-[(E)-2-pyridin-2-ylethenyl]chromene-6-carboxylic acid Traditional Name: 3-butoxy-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:

CCCCOC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C=CC3=CC=CC=N3

Isomeric SMILES

CCCCOC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C21H19NO5/c1-2-3-12-26-20-18(10-8-15-6-4-5-11-22-15)27-17-9-7-14(21(24)25)13-16(17)19(20)23/h4-11,13H,2-3,12H2,1H3,(H,24,25)/b10-8+