7-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]enanthic acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-15-10(7-8-11(15)16(20)21)13(19)14-9-5-3-2-4-6-12(17)18/h7-8H,2-6,9H2,1H3,(H,14,19)(H,17,18)