(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C#N

InChI

InChI=1S/C19H14N4O4/c1-10-3-14-15(4-11(10)2)22-19(21-14)13(8-20)5-12-6-17-18(27-9-26-17)7-16(12)23(24)25/h3-7H,9H2,1-2H3,(H,21,22)/b13-5+