2-(1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)amino]inden-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)amino]inden-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)-1-indenone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one Formula: C22H14BrNO3 MolecularWeight: 420.25546

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H14BrNO3/c23-14-6-8-15(9-7-14)24-21-16-3-1-2-4-17(16)22(25)20(21)13-5-10-18-19(11-13)27-12-26-18/h1-11,24H,12H2