tert-butyl 1-[3-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-[(4-bromo-2-methyl-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-2-carboxylate CAS Name: 1-[3-[(4-bromo-2-methylanilino)-oxomethyl]-4-nitrophenyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[(4-bromo-2-methylphenyl)carbamoyl]-4-nitrophenyl]piperazine-2-carboxylate Traditional Name: 1-[3-[(4-bromo-2-methyl-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-2-carboxylic acid tert-butyl ester Formula: C23H27BrN4O5 MolecularWeight: 519.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C=CC(=C2)N3CCNCC3C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C=CC(=C2)N3CCNCC3C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27BrN4O5/c1-14-11-15(24)5-7-18(14)26-21(29)17-12-16(6-8-19(17)28(31)32)27-10-9-25-13-20(27)22(30)33-23(2,3)4/h5-8,11-12,20,25H,9-10,13H2,1-4H3,(H,26,29)