(E)-3-(4-bromanyl-3-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C17H11BrN4O2 MolecularWeight: 383.19884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN4O2/c1-10-2-5-14-15(6-10)21-17(20-14)12(9-19)7-11-3-4-13(18)16(8-11)22(23)24/h2-8H,1H3,(H,20,21)/b12-7+