2,4-bis(azanyl)-2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoic acid

Systemtic Name: 2,4-bis(azanyl)-2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoic acid Openeye Name: 2,4-diamino-2-(4-nitrobenzoyl)-3-oxo-butanoic acid CAS Name: 2,4-diamino-2-[(4-nitrophenyl)-oxomethyl]-3-oxobutanoic acid IUPAC Name: 2,4-diamino-2-(4-nitrobenzoyl)-3-oxobutanoic acid Traditional Name: 2,4-diamino-3-keto-2-(4-nitrobenzoyl)butyric acid Formula: C11H11N3O6 MolecularWeight: 281.22154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(C(=O)CN)(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(C(=O)CN)(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6/c12-5-8(15)11(13,10(17)18)9(16)6-1-3-7(4-2-6)14(19)20/h1-4H,5,12-13H2,(H,17,18)