[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H17N3O5/c17-9-12-8-13(19(22)23)6-7-14(12)18-15(20)10-24-16(21)11-4-2-1-3-5-11/h6-8,11H,1-5,10H2,(H,18,20)