2-(6-nitro-2-phenyl-1,3-benzoxazol-7-yl)ethanenitrile

Systemtic Name: 2-(6-nitro-2-phenyl-1,3-benzoxazol-7-yl)ethanenitrile Openeye Name: 2-(6-nitro-2-phenyl-1,3-benzoxazol-7-yl)acetonitrile CAS Name: 2-(6-nitro-2-phenyl-1,3-benzoxazol-7-yl)acetonitrile IUPAC Name: 2-(6-nitro-2-phenyl-1,3-benzoxazol-7-yl)acetonitrile Traditional Name: 2-(6-nitro-2-phenyl-1,3-benzoxazol-7-yl)acetonitrile Formula: C15H9N3O3 MolecularWeight: 279.25026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C(=C(C=C3)[N+](=O)[O-])CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C(=C(C=C3)[N+](=O)[O-])CC#N

InChI

InChI=1S/C15H9N3O3/c16-9-8-11-13(18(19)20)7-6-12-14(11)21-15(17-12)10-4-2-1-3-5-10/h1-7H,8H2