5-nitro-2-[[[(2R)-spiro[2.3]hexan-2-yl]carbonylamino]carbamoyl]benzoate

Systemtic Name: 5-nitro-2-[[[(2R)-spiro[2.3]hexan-2-yl]carbonylamino]carbamoyl]benzoate Openeye Name: 5-nitro-2-[[[(2R)-spiro[2.3]hexane-2-carbonyl]amino]carbamoyl]benzoate CAS Name: 5-nitro-2-[oxo-[[oxo-[(2R)-2-spiro[2.3]hexanyl]methyl]hydrazo]methyl]benzoate IUPAC Name: 5-nitro-2-[[[(2R)-spiro[2.3]hexane-2-carbonyl]amino]carbamoyl]benzoate Traditional Name: 5-nitro-2-[[[(2R)-spiro[2.3]hexane-2-carbonyl]amino]carbamoyl]benzoate Formula: C15H14N3O6- MolecularWeight: 332.28816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC2C(=O)NNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC2(C1)C[C@H]2C(=O)NNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H15N3O6/c19-12(16-17-13(20)11-7-15(11)4-1-5-15)9-3-2-8(18(23)24)6-10(9)14(21)22/h2-3,6,11H,1,4-5,7H2,(H,16,19)(H,17,20)(H,21,22)/p-1/t11-/m0/s1