sodium 3-(3-nitrophenyl)-3-oxidanyl-2-(2-phenylethanoylamino)propanoate

Systemtic Name: sodium 3-(3-nitrophenyl)-3-oxidanyl-2-(2-phenylethanoylamino)propanoate Openeye Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propanoate CAS Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[(1-oxo-2-phenylethyl)amino]propanoate IUPAC Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propanoate Traditional Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propionate Formula: C17H15N2NaO6 MolecularWeight: 366.30057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(C(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(C(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16N2O6.Na/c20-14(9-11-5-2-1-3-6-11)18-15(17(22)23)16(21)12-7-4-8-13(10-12)19(24)25;/h1-8,10,15-16,21H,9H2,(H,18,20)(H,22,23);/q;+1/p-1