1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzimidazol-2-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)N(C(=O)N2C)C)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1)N(C(=O)N2C)C)/[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-8(15(17)18)6-9-4-5-10-11(7-9)14(3)12(16)13(10)2/h4-7H,1-3H3/b8-6+