3-(3-nitro-4-oxidanyl-phenyl)-2-(propanoylamino)propanoate

Systemtic Name: 3-(3-nitro-4-oxidanyl-phenyl)-2-(propanoylamino)propanoate Openeye Name: 3-(4-hydroxy-3-nitro-phenyl)-2-(propanoylamino)propanoate CAS Name: 3-(4-hydroxy-3-nitrophenyl)-2-(1-oxopropylamino)propanoate IUPAC Name: 3-(4-hydroxy-3-nitrophenyl)-2-(propanoylamino)propanoate Traditional Name: 3-(4-hydroxy-3-nitro-phenyl)-2-propionamido-propionate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-2-11(16)13-8(12(17)18)5-7-3-4-10(15)9(6-7)14(19)20/h3-4,6,8,15H,2,5H2,1H3,(H,13,16)(H,17,18)/p-1