[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C17H15N3O6/c1-9-10(2)26-11(3)16(9)17(22)25-8-15(21)19-14-5-4-13(20(23)24)6-12(14)7-18/h4-6H,8H2,1-3H3,(H,19,21)