tert-butyl 2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]acetate CAS Name: 2-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]acetate Traditional Name: 2-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]acetic acid tert-butyl ester Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O6/c1-18(2,3)29-15(24)8-19-16(25)13-6-11(9-21(13)4)20-17(26)14-7-12(23(27)28)10-22(14)5/h6-7,9-10H,8H2,1-5H3,(H,19,25)(H,20,26)