tert-butyl 4-[3-[(2-methyl-5-nitro-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-methyl-5-nitro-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-methyl-5-nitro-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[(2-methyl-5-nitroanilino)-oxomethyl]-4-nitrophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-methyl-5-nitrophenyl)carbamoyl]-4-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(2-methyl-5-nitro-phenyl)carbamoyl]-4-nitro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27N5O7 MolecularWeight: 485.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O7/c1-15-5-6-17(27(31)32)14-19(15)24-21(29)18-13-16(7-8-20(18)28(33)34)25-9-11-26(12-10-25)22(30)35-23(2,3)4/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)