tert-butyl 1-methyl-4-[[1-methyl-4-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxylate

Systemtic Name: tert-butyl 1-methyl-4-[[1-methyl-4-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxylate Openeye Name: tert-butyl 1-methyl-4-[[1-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[[1-methyl-4-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methyl-4-[[1-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate Traditional Name: 1-methyl-4-[[1-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H24N6O6 MolecularWeight: 456.45186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O6/c1-21(2,3)33-20(30)17-7-13(11-26(17)5)24-19(29)16-6-12(10-25(16)4)23-18(28)15-8-14(9-22-15)27(31)32/h6-11,22H,1-5H3,(H,23,28)(H,24,29)