3-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(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:

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

Isomeric SMILES

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

InChI

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