(2R)-2-(1H-benzimidazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitro-phenyl)-3-oxo-propanenitrile CAS Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile IUPAC Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile Traditional Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitro-phenyl)-3-keto-propionitrile Formula: C16H9ClN4O3 MolecularWeight: 340.72066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)[C@@H](C#N)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9ClN4O3/c17-11-6-5-9(7-14(11)21(23)24)15(22)10(8-18)16-19-12-3-1-2-4-13(12)20-16/h1-7,10H,(H,19,20)/t10-/m0/s1