(E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-prop-2-ynoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-propargyloxy-phenyl)acrylonitrile Formula: C19H12N4O3 MolecularWeight: 344.32358

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H12N4O3/c1-2-9-26-18-8-7-15(23(24)25)11-13(18)10-14(12-20)19-21-16-5-3-4-6-17(16)22-19/h1,3-8,10-11H,9H2,(H,21,22)/b14-10+