(E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(4-nitrobenzyl)oxy-phenyl]acrylonitrile Formula: C23H15BrN4O3 MolecularWeight: 475.2942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C23H15BrN4O3/c24-19-12-16(11-17(13-25)23-26-20-3-1-2-4-21(20)27-23)7-10-22(19)31-14-15-5-8-18(9-6-15)28(29)30/h1-12H,14H2,(H,26,27)/b17-11+