tert-butyl 4-(5-azanyl-2-cyano-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-azanyl-2-cyano-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-amino-2-cyano-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylate CAS Name: 4-(5-amino-2-cyano-4-nitrophenyl)-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-amino-2-cyano-4-nitrophenyl)-3-methylpiperazine-1-carboxylate Traditional Name: 4-(5-amino-2-cyano-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC(=C(C=C2C#N)[N+](=O)[O-])N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CCN1C2=CC(=C(C=C2C#N)[N+](=O)[O-])N)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23N5O4/c1-11-10-20(16(23)26-17(2,3)4)5-6-21(11)14-8-13(19)15(22(24)25)7-12(14)9-18/h7-8,11H,5-6,10,19H2,1-4H3