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

Systemtic Name: 7-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(5-nitro-1H-pyrrole-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(5-nitro-1H-pyrrole-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(5-nitro-1H-pyrrole-2-carbonyl)amino]enanthic acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5/c16-11(17)5-3-1-2-4-8-13-12(18)9-6-7-10(14-9)15(19)20/h6-7,14H,1-5,8H2,(H,13,18)(H,16,17)