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

Systemtic Name: tert-butyl 2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]ethanoate Openeye Name: tert-butyl 2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]acetate CAS Name: 2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]acetate Traditional Name: 2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]acetic acid tert-butyl ester Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5/c1-12(2,3)20-10(16)6-13-11(17)9-5-8(15(18)19)7-14(9)4/h5,7H,6H2,1-4H3,(H,13,17)