3-(4-chloranyl-3-nitro-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(4-chloro-3-nitro-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(4-chloro-3-nitrophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(4-chloro-3-nitrophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(4-chloro-3-nitro-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C18H13ClN4O2 MolecularWeight: 352.77442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H13ClN4O2/c1-10-5-15-16(6-11(10)2)22-18(21-15)13(9-20)7-12-3-4-14(19)17(8-12)23(24)25/h3-8H,1-2H3,(H,21,22)