5-nitro-1-[(E)-3-phenylprop-2-enyl]benzimidazole

Systemtic Name: 5-nitro-1-[(E)-3-phenylprop-2-enyl]benzimidazole Openeye Name: 1-[(E)-cinnamyl]-5-nitro-benzimidazole CAS Name: 5-nitro-1-[(E)-3-phenylprop-2-enyl]benzimidazole IUPAC Name: 5-nitro-1-[(E)-3-phenylprop-2-enyl]benzimidazole Traditional Name: 1-[(E)-cinnamyl]-5-nitro-benzimidazole Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C=NC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C=NC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2/c20-19(21)14-8-9-16-15(11-14)17-12-18(16)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2/b7-4+