sodium 3-(3-nitrophenyl)-2-[2-(4-nitrophenyl)ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: sodium 3-(3-nitrophenyl)-2-[2-(4-nitrophenyl)ethanoylamino]-3-oxidanyl-propanoate Openeye Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]propanoate CAS Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]propanoate IUPAC Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]propanoate Traditional Name: sodium 3-hydroxy-3-(3-nitrophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]propionate Formula: C17H14N3NaO8 MolecularWeight: 411.29813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)[O-])NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)[O-])NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])O.[Na+]

InChI

InChI=1S/C17H15N3O8.Na/c21-14(8-10-4-6-12(7-5-10)19(25)26)18-15(17(23)24)16(22)11-2-1-3-13(9-11)20(27)28;/h1-7,9,15-16,22H,8H2,(H,18,21)(H,23,24);/q;+1/p-1