4-[[(4-bromophenyl)amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(4-bromophenyl)amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-bromoanilino)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(4-bromoanilino)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-bromoanilino)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(4-bromoanilino)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C18H16BrNO3 MolecularWeight: 374.22854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)Br)O

InChI

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