4-(2-chloranyl-5-nitro-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(2-chloranyl-5-nitro-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(2-chloro-5-nitro-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(2-chloro-5-nitrophenoxy)-2-(1-methyl-2-benzimidazolyl)-3-oxobutanenitrile IUPAC Name: 4-(2-chloro-5-nitrophenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(2-chloro-5-nitro-phenoxy)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O4/c1-22-15-5-3-2-4-14(15)21-18(22)12(9-20)16(24)10-27-17-8-11(23(25)26)6-7-13(17)19/h2-8,12H,10H2,1H3