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

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(3-bromophenyl)amino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-(3-bromoanilino)naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-(3-bromoanilino)naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-(3-bromoanilino)naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-(3-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(=CC=C5)Br

Isomeric SMILES

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

InChI

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