3-(4-methoxy-3-nitro-phenyl)-2-(propanoylamino)propanoic acid

Systemtic Name: 3-(4-methoxy-3-nitro-phenyl)-2-(propanoylamino)propanoic acid Openeye Name: 3-(4-methoxy-3-nitro-phenyl)-2-(propanoylamino)propanoic acid CAS Name: 3-(4-methoxy-3-nitrophenyl)-2-(1-oxopropylamino)propanoic acid IUPAC Name: 3-(4-methoxy-3-nitrophenyl)-2-(propanoylamino)propanoic acid Traditional Name: 3-(4-methoxy-3-nitro-phenyl)-2-propionamido-propionic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-3-12(16)14-9(13(17)18)6-8-4-5-11(21-2)10(7-8)15(19)20/h4-5,7,9H,3,6H2,1-2H3,(H,14,16)(H,17,18)