4-[methyl-(4-nitro-1-propyl-pyrrol-2-yl)carbonyl-amino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-3-6-15-9-10(16(20)21)8-11(15)13(19)14(2)7-4-5-12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)