(E)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H13BrN4O3 MolecularWeight: 449.25692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C21H13BrN4O3/c1-12-2-6-18-19(8-12)25-21(24-18)13(11-23)9-15-4-7-20(29-15)16-5-3-14(26(27)28)10-17(16)22/h2-10H,1H3,(H,24,25)/b13-9+