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

Systemtic Name: 2-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]-3-hydroxy-butyric acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c1-6(16)10(12(18)19)13-11(17)9-4-8(15(20)21)5-14(9)7-2-3-7/h4-7,10,16H,2-3H2,1H3,(H,13,17)(H,18,19)