O3-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester O1-ethyl ester IUPAC Name: 3-O-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester O1-ethyl ester Formula: C23H20N4O7 MolecularWeight: 464.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O7/c1-4-33-22(29)14-9-15(11-16(10-14)27(31)32)23(30)34-13-20(28)17(12-24)21-25(2)18-7-5-6-8-19(18)26(21)3/h5-11H,4,13H2,1-3H3