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

Systemtic Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitro-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitro-phenyl)-3-oxo-propanenitrile CAS Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile IUPAC Name: (2R)-2-(1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile Traditional Name: (2R)-2-(1H-benzimidazol-2-yl)-3-keto-3-(4-methoxy-3-nitro-phenyl)propionitrile Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H](C#N)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4/c1-25-15-7-6-10(8-14(15)21(23)24)16(22)11(9-18)17-19-12-4-2-3-5-13(12)20-17/h2-8,11H,1H3,(H,19,20)/t11-/m0/s1