2-[4-(1,3-benzoxazol-2-yl)-2-nitro-phenyl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-2-nitro-phenyl]ethanenitrile Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-2-nitro-phenyl]acetonitrile CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-2-nitrophenyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-2-nitrophenyl]acetonitrile Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-2-nitro-phenyl]acetonitrile Formula: C15H9N3O3 MolecularWeight: 279.25026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)CC#N)[N+](=O)[O-]

InChI

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