3,3-dimethyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butyric acid Formula: C11H15N3O5 MolecularWeight: 269.2539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C1=CC=C(N1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)C1=CC=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O5/c1-11(2,3)8(10(16)17)13-9(15)6-4-5-7(12-6)14(18)19/h4-5,8,12H,1-3H3,(H,13,15)(H,16,17)