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

Systemtic Name: 4-[[(3-bromophenyl)amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(3-bromoanilino)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[(3-bromoanilino)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(3-bromoanilino)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(3-bromoanilino)methyl]-7,8-dimethyl-coumarin Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H16BrNO2/c1-11-6-7-16-13(8-17(21)22-18(16)12(11)2)10-20-15-5-3-4-14(19)9-15/h3-9,20H,10H2,1-2H3