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

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-8-(5-bromanylpentoxy)-7-methoxy-chromen-2-one Openeye Name: 8-(5-bromopentoxy)-4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-chromen-2-one CAS Name: 8-(5-bromopentoxy)-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-1-benzopyran-2-one IUPAC Name: 8-(5-bromopentoxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxychromen-2-one Traditional Name: 8-(5-bromopentoxy)-4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-coumarin Formula: C20H19BrCl2N2O4 MolecularWeight: 502.18586

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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)OCCCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrCl2N2O4/c1-27-16-6-5-12-15(25-18-13(22)10-24-11-14(18)23)9-17(26)29-19(12)20(16)28-8-4-2-3-7-21/h5-6,9-11H,2-4,7-8H2,1H3,(H,24,25)