tert-butyl 4-[(4-cyano-2-nitro-phenyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyano-2-nitro-phenyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-cyano-2-nitro-anilino)piperidine-1-carboxylate CAS Name: 4-(4-cyano-2-nitroanilino)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyano-2-nitroanilino)piperidine-1-carboxylate Traditional Name: 4-(4-cyano-2-nitro-anilino)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4/c1-17(2,3)25-16(22)20-8-6-13(7-9-20)19-14-5-4-12(11-18)10-15(14)21(23)24/h4-5,10,13,19H,6-9H2,1-3H3