tert-butyl 4-[4-(aminomethyl)phenyl]-2-[2-nitroso-1-(oxidanylamino)-2-phenyl-ethenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(aminomethyl)phenyl]-2-[2-nitroso-1-(oxidanylamino)-2-phenyl-ethenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(aminomethyl)phenyl]-2-[1-(hydroxyamino)-2-nitroso-2-phenyl-vinyl]piperazine-1-carboxylate CAS Name: 4-[4-(aminomethyl)phenyl]-2-[1-(hydroxyamino)-2-nitroso-2-phenylethenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(aminomethyl)phenyl]-2-[1-(hydroxyamino)-2-nitroso-2-phenylethenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(aminomethyl)phenyl]-2-[1-(hydroxyamino)-2-nitroso-2-phenyl-vinyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=C(C2=CC=CC=C2)N=O)NO)C3=CC=C(C=C3)CN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=C(C2=CC=CC=C2)N=O)NO)C3=CC=C(C=C3)CN

InChI

InChI=1S/C24H31N5O4/c1-24(2,3)33-23(30)29-14-13-28(19-11-9-17(15-25)10-12-19)16-20(29)22(27-32)21(26-31)18-7-5-4-6-8-18/h4-12,20,27,32H,13-16,25H2,1-3H3