4-[[(3,4-dimethylphenyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(3,4-dimethylphenyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(3,4-dimethylanilino)methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[(3,4-dimethylanilino)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(3,4-dimethylanilino)methyl]-7-hydroxychromen-2-one Traditional Name: 4-[(3,4-dimethylanilino)methyl]-7-hydroxy-coumarin Formula: C18H17NO3 MolecularWeight: 295.33248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC(=O)OC3=C2C=CC(=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC(=O)OC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C18H17NO3/c1-11-3-4-14(7-12(11)2)19-10-13-8-18(21)22-17-9-15(20)5-6-16(13)17/h3-9,19-20H,10H2,1-2H3