4-[(2-bromanyl-5-methoxy-phenyl)methyl-methyl-amino]chromen-2-one

Systemtic Name: 4-[(2-bromanyl-5-methoxy-phenyl)methyl-methyl-amino]chromen-2-one Openeye Name: 4-[(2-bromo-5-methoxy-phenyl)methyl-methyl-amino]chromen-2-one CAS Name: 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-benzopyran-2-one IUPAC Name: 4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]chromen-2-one Traditional Name: 4-[(2-bromo-5-methoxy-benzyl)-methyl-amino]coumarin Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)OC)Br)C2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

CN(CC1=C(C=CC(=C1)OC)Br)C2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C18H16BrNO3/c1-20(11-12-9-13(22-2)7-8-15(12)19)16-10-18(21)23-17-6-4-3-5-14(16)17/h3-10H,11H2,1-2H3