disodium 2-[(4-nitrophenyl)carbonylamino]pentanedioate

Systemtic Name: disodium 2-[(4-nitrophenyl)carbonylamino]pentanedioate Openeye Name: disodium 2-[(4-nitrobenzoyl)amino]pentanedioate CAS Name: disodium 2-[[(4-nitrophenyl)-oxomethyl]amino]pentanedioate IUPAC Name: disodium 2-[(4-nitrobenzoyl)amino]pentanedioate Traditional Name: disodium 2-[(4-nitrobenzoyl)amino]glutarate Formula: C12H10N2Na2O7 MolecularWeight: 340.19654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H12N2O7.2Na/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21;;/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19);;/q;2*+1/p-2