2-(benzotriazol-1-yl)-3-[(4-bromophenyl)amino]naphthalene-1,4-dione

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(4-bromophenyl)amino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-(4-bromoanilino)naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-(4-bromoanilino)naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-(4-bromoanilino)naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-(4-bromoanilino)-1,4-naphthoquinone Formula: C22H13BrN4O2 MolecularWeight: 445.26822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H13BrN4O2/c23-13-9-11-14(12-10-13)24-19-20(27-18-8-4-3-7-17(18)25-26-27)22(29)16-6-2-1-5-15(16)21(19)28/h1-12,24H