2-[[(4-methoxyphenyl)amino]methyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[[(4-methoxyphenyl)amino]methyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(4-methoxyanilino)methyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[(4-methoxyanilino)methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(4-methoxyanilino)methyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-(p-anisidinomethyl)-4H-1,3,4-benzoxadiazepin-5-one Formula: C16H15N3O3 MolecularWeight: 297.3086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=NNC(=O)C3=CC=CC=C3O2

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=NNC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H15N3O3/c1-21-12-8-6-11(7-9-12)17-10-15-18-19-16(20)13-4-2-3-5-14(13)22-15/h2-9,17H,10H2,1H3,(H,19,20)