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

Systemtic Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C#N

InChI

InChI=1S/C18H12N4O4/c1-10-2-3-13-14(4-10)21-18(20-13)12(8-19)5-11-6-16-17(26-9-25-16)7-15(11)22(23)24/h2-7H,9H2,1H3,(H,20,21)/b12-5+