tert-butyl 4-[3-(2-cyanoethylamino)-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-cyanoethylamino)-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-cyanoethylamino)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-cyanoethylamino)-2-nitrophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-cyanoethylamino)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-cyanoethylamino)-2-nitro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=CC=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=CC=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-18(2,3)27-17(24)22-12-10-21(11-13-22)15-7-4-6-14(16(15)23(25)26)20-9-5-8-19/h4,6-7,20H,5,9-13H2,1-3H3