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

Systemtic Name: 3-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butyric acid Formula: C9H11N3O5 MolecularWeight: 241.20074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O5/c1-5(4-8(13)14)10-9(15)6-2-3-7(11-6)12(16)17/h2-3,5,11H,4H2,1H3,(H,10,15)(H,13,14)