2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C11H15N3O5 MolecularWeight: 269.2539

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC(=CN1CC)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC(=CN1CC)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O5/c1-3-8(11(16)17)12-10(15)9-5-7(14(18)19)6-13(9)4-2/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,16,17)