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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(5-chloranyl-4-methyl-2-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(5-chloro-4-methyl-2-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(5-chloro-4-methyl-2-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(5-chloro-4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(5-chloro-4-methyl-2-nitro-phenyl)-2-furyl]acrylonitrile Formula: C21H13ClN4O3 MolecularWeight: 404.80592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H13ClN4O3/c1-12-8-19(26(27)28)15(10-16(12)22)20-7-6-14(29-20)9-13(11-23)21-24-17-4-2-3-5-18(17)25-21/h2-10H,1H3,(H,24,25)/b13-9+