(E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]acrylonitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O2/c1-22(2)16-8-7-12(10-17(16)23(24)25)9-13(11-19)18-20-14-5-3-4-6-15(14)21-18/h3-10H,1-2H3,(H,20,21)/b13-9+