dipotassium 5-[[(4S)-4-azanyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-2-nitro-benzoate

Systemtic Name: dipotassium 5-[[(4S)-4-azanyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-2-nitro-benzoate Openeye Name: dipotassium 5-[[(4S)-4-amino-5-oxido-5-oxo-pentanoyl]amino]-2-nitro-benzoate CAS Name: dipotassium 5-[[(4S)-4-amino-5-oxido-1,5-dioxopentyl]amino]-2-nitrobenzoate IUPAC Name: dipotassium 5-[[(4S)-4-amino-5-oxido-5-oxopentanoyl]amino]-2-nitrobenzoate Traditional Name: dipotassium 5-[[(4S)-4-amino-5-keto-5-oxido-pentanoyl]amino]-2-nitro-benzoate Formula: C12H11K2N3O7 MolecularWeight: 387.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(C(=O)[O-])N)C(=O)[O-])[N+](=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)[O-])N)C(=O)[O-])[N+](=O)[O-].[K+].[K+]

InChI

InChI=1S/C12H13N3O7.2K/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);;/q;2*+1/p-2/t8-;;/m0../s1