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

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(3-nitrophenyl)amino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-(3-nitroanilino)naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-(3-nitroanilino)-1,4-naphthoquinone Formula: C22H13N5O4 MolecularWeight: 411.36972

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N5O4/c28-21-15-8-1-2-9-16(15)22(29)20(26-18-11-4-3-10-17(18)24-25-26)19(21)23-13-6-5-7-14(12-13)27(30)31/h1-12,23H