4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-8-(3-bromanylpropoxy)-7-methoxy-chromen-2-one

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-8-(3-bromanylpropoxy)-7-methoxy-chromen-2-one Openeye Name: 8-(3-bromopropoxy)-4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-chromen-2-one CAS Name: 8-(3-bromopropoxy)-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-1-benzopyran-2-one IUPAC Name: 8-(3-bromopropoxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxychromen-2-one Traditional Name: 8-(3-bromopropoxy)-4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-coumarin Formula: C18H15BrCl2N2O4 MolecularWeight: 474.1327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCCCBr

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCCCBr

InChI

InChI=1S/C18H15BrCl2N2O4/c1-25-14-4-3-10-13(23-16-11(20)8-22-9-12(16)21)7-15(24)27-17(10)18(14)26-6-2-5-19/h3-4,7-9H,2,5-6H2,1H3,(H,22,23)