[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-methoxy-5-nitro-benzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H16N4O6/c1-23-16-6-4-3-5-15(16)22-19(23)14(10-21)17(25)11-30-20(26)13-9-12(24(27)28)7-8-18(13)29-2/h3-9,22H,11H2,1-2H3/b19-14+