2-anthracen-9-yl-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 2-anthracen-9-yl-6-nitro-4H-1,3-benzodioxine Openeye Name: 2-(9-anthryl)-6-nitro-4H-1,3-benzodioxine CAS Name: 2-(9-anthracenyl)-6-nitro-4H-1,3-benzodioxin IUPAC Name: 2-anthracen-9-yl-6-nitro-4H-1,3-benzodioxine Traditional Name: 2-(9-anthryl)-6-nitro-4H-1,3-benzodioxin Formula: C22H15NO4 MolecularWeight: 357.3588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])OC(O1)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])OC(O1)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C22H15NO4/c24-23(25)17-9-10-20-16(12-17)13-26-22(27-20)21-18-7-3-1-5-14(18)11-15-6-2-4-8-19(15)21/h1-12,22H,13H2