(E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-isopropyl-3-nitro-phenyl)acrylonitrile Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2/c1-12(2)15-8-7-13(10-18(15)23(24)25)9-14(11-20)19-21-16-5-3-4-6-17(16)22-19/h3-10,12H,1-2H3,(H,21,22)/b14-9+