(2S)-2-(1-methylbenzimidazol-2-yl)-3-(2-nitro-5-oxidanyl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-(2-nitro-5-oxidanyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(5-hydroxy-2-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-(5-hydroxy-2-nitrophenyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-(5-hydroxy-2-nitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-(5-hydroxy-2-nitro-phenyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O4/c1-20-15-5-3-2-4-13(15)19-17(20)12(9-18)16(23)11-8-10(22)6-7-14(11)21(24)25/h2-8,12,22H,1H3/t12-/m1/s1