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

Systemtic Name: 2-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 2-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-2-9(12(17)18)13-11(16)10-5-8(15(19)20)6-14(10)7-3-4-7/h5-7,9H,2-4H2,1H3,(H,13,16)(H,17,18)