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

Systemtic Name: sodium 2-[2-(4-nitrophenoxy)ethanoylamino]-3-(3-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: sodium 3-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]-3-(3-nitrophenyl)propanoate CAS Name: sodium 3-hydroxy-2-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-3-(3-nitrophenyl)propanoate IUPAC Name: sodium 3-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]-3-(3-nitrophenyl)propanoate Traditional Name: sodium 3-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]-3-(3-nitrophenyl)propionate Formula: C17H14N3NaO9 MolecularWeight: 427.29753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)[O-])NC(=O)COC2=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)COC2=CC=C(C=C2)[N+](=O)[O-])O.[Na+]

InChI

InChI=1S/C17H15N3O9.Na/c21-14(9-29-13-6-4-11(5-7-13)19(25)26)18-15(17(23)24)16(22)10-2-1-3-12(8-10)20(27)28;/h1-8,15-16,22H,9H2,(H,18,21)(H,23,24);/q;+1/p-1