4-[2-(1,3-benzoxazol-2-yl)phenoxy]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(1,3-benzoxazol-2-yl)phenoxy]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(1,3-benzoxazol-2-yl)phenoxy]-5-nitro-phthalonitrile CAS Name: 4-[2-(1,3-benzoxazol-2-yl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(1,3-benzoxazol-2-yl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[2-(1,3-benzoxazol-2-yl)phenoxy]-5-nitro-phthalonitrile Formula: C21H10N4O4 MolecularWeight: 382.3285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)OC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)OC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H10N4O4/c22-11-13-9-17(25(26)27)20(10-14(13)12-23)28-18-7-3-1-5-15(18)21-24-16-6-2-4-8-19(16)29-21/h1-10H