6-chloranyl-4-methyl-7-oxidanyl-3-(pyridin-3-ylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-3-(pyridin-3-ylmethyl)chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-(3-pyridylmethyl)chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-(3-pyridinylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-(pyridin-3-ylmethyl)chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-methyl-3-(3-pyridylmethyl)coumarin Formula: C16H12ClNO3 MolecularWeight: 301.72438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC3=CN=CC=C3

InChI

InChI=1S/C16H12ClNO3/c1-9-11-6-13(17)14(19)7-15(11)21-16(20)12(9)5-10-3-2-4-18-8-10/h2-4,6-8,19H,5H2,1H3