3-[(4-nitrophenyl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[(4-nitrophenyl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-(4-nitro-N-(3-oxido-3-oxo-propyl)anilino)propanoate CAS Name: 3-(4-nitro-N-(3-oxido-3-oxopropyl)anilino)propanoate IUPAC Name: 3-(4-nitro-N-(3-oxido-3-oxopropyl)anilino)propanoate Traditional Name: 3-(N-(3-keto-3-oxido-propyl)-4-nitro-anilino)propionate Formula: C12H12N2O6-2 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)[O-])CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)[O-])CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c15-11(16)5-7-13(8-6-12(17)18)9-1-3-10(4-2-9)14(19)20/h1-4H,5-8H2,(H,15,16)(H,17,18)/p-2