4-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 4-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 4-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 4-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C10H13N3O5 MolecularWeight: 255.22732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O5/c1-12-7(4-5-8(12)13(17)18)10(16)11-6-2-3-9(14)15/h4-5H,2-3,6H2,1H3,(H,11,16)(H,14,15)