4-[[(3-bromophenyl)amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(3-bromophenyl)amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(3-bromoanilino)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[(3-bromoanilino)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(3-bromoanilino)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(3-bromoanilino)methyl]-7-hydroxy-8-methyl-coumarin Formula: C17H14BrNO3 MolecularWeight: 360.20196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC(=CC=C3)Br)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C17H14BrNO3/c1-10-15(20)6-5-14-11(7-16(21)22-17(10)14)9-19-13-4-2-3-12(18)8-13/h2-8,19-20H,9H2,1H3