methyl 4-[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-3-nitro-benzoate Openeye Name: methyl 4-[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propoxy]-3-nitro-benzoate CAS Name: 4-[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropoxy]-3-nitrobenzoate Traditional Name: 4-[(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propoxy]-3-nitro-benzoic acid methyl 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)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

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