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

Systemtic Name: 2-[(4-nitro-1-propyl-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: 2-[(4-nitro-1-propyl-pyrrole-2-carbonyl)amino]pentanoic acid CAS Name: 2-[[(4-nitro-1-propyl-2-pyrrolyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(4-nitro-1-propylpyrrole-2-carbonyl)amino]pentanoic acid Traditional Name: 2-[(4-nitro-1-propyl-pyrrole-2-carbonyl)amino]valeric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC(=CN1CCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C1=CC(=CN1CCC)[N+](=O)[O-]

InChI

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