[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H25N3O5/c1-2-3-4-14-5-7-15(8-6-14)20(25)28-13-19(24)22-18-10-9-17(23(26)27)11-16(18)12-21/h9-11,14-15H,2-8,13H2,1H3,(H,22,24)