6-bromanyl-3-[(4-pentoxyphenyl)amino]chromen-2-one

Systemtic Name: 6-bromanyl-3-[(4-pentoxyphenyl)amino]chromen-2-one Openeye Name: 6-bromo-3-(4-pentoxyanilino)chromen-2-one CAS Name: 6-bromo-3-(4-pentoxyanilino)-1-benzopyran-2-one IUPAC Name: 6-bromo-3-(4-pentoxyanilino)chromen-2-one Traditional Name: 3-(4-amoxyanilino)-6-bromo-coumarin Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C20H20BrNO3/c1-2-3-4-11-24-17-8-6-16(7-9-17)22-18-13-14-12-15(21)5-10-19(14)25-20(18)23/h5-10,12-13,22H,2-4,11H2,1H3