5-[[(4R)-4-azaniumyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-2-nitro-benzoate

Systemtic Name: 5-[[(4R)-4-azaniumyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-2-nitro-benzoate Openeye Name: 5-[[(4R)-4-azaniumyl-5-oxido-5-oxo-pentanoyl]amino]-2-nitro-benzoate CAS Name: 5-[[(4R)-4-ammonio-5-oxido-1,5-dioxopentyl]amino]-2-nitrobenzoate IUPAC Name: 5-[[(4R)-4-azaniumyl-5-oxido-5-oxopentanoyl]amino]-2-nitrobenzoate Traditional Name: 5-[[(4R)-4-ammonio-5-keto-5-oxido-pentanoyl]amino]-2-nitro-benzoate Formula: C12H12N3O7- MolecularWeight: 310.23958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(C(=O)[O-])[NH3+])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7/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)/p-1/t8-/m1/s1