(E)-3-(4-chloranyl-3-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C17H11ClN4O2 MolecularWeight: 338.74784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H11ClN4O2/c1-21-15-5-3-2-4-14(15)20-17(21)12(10-19)8-11-6-7-13(18)16(9-11)22(23)24/h2-9H,1H3/b12-8+