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

Systemtic Name: 4-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)-methyl-amino]butanoic acid CAS Name: 4-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)-methylamino]butanoic acid Traditional Name: 4-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)-methyl-amino]butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-14(6-2-3-12(17)18)13(19)11-7-10(16(20)21)8-15(11)9-4-5-9/h7-9H,2-6H2,1H3,(H,17,18)