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

Systemtic Name: 4-[(4-nitro-1-propyl-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 4-[(4-nitro-1-propyl-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 4-[[(4-nitro-1-propyl-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(4-nitro-1-propylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 4-[(4-nitro-1-propyl-pyrrole-2-carbonyl)amino]butyric acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-2-6-14-8-9(15(19)20)7-10(14)12(18)13-5-3-4-11(16)17/h7-8H,2-6H2,1H3,(H,13,18)(H,16,17)