4-(3-nitrophenyl)-4-oxidanylidene-2-(propanoylamino)butanoic acid

Systemtic Name: 4-(3-nitrophenyl)-4-oxidanylidene-2-(propanoylamino)butanoic acid Openeye Name: 4-(3-nitrophenyl)-4-oxo-2-(propanoylamino)butanoic acid CAS Name: 4-(3-nitrophenyl)-4-oxo-2-(1-oxopropylamino)butanoic acid IUPAC Name: 4-(3-nitrophenyl)-4-oxo-2-(propanoylamino)butanoic acid Traditional Name: 4-keto-4-(3-nitrophenyl)-2-propionamido-butyric acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-2-12(17)14-10(13(18)19)7-11(16)8-4-3-5-9(6-8)15(20)21/h3-6,10H,2,7H2,1H3,(H,14,17)(H,18,19)