3-[1,3-bis(oxidanylidene)propan-2-yl]-2-nitro-benzoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)propan-2-yl]-2-nitro-benzoic acid Openeye Name: 3-(1-formyl-2-oxo-ethyl)-2-nitro-benzoic acid CAS Name: 3-(1,3-dioxopropan-2-yl)-2-nitrobenzoic acid IUPAC Name: 3-(1,3-dioxopropan-2-yl)-2-nitrobenzoic acid Traditional Name: 3-(1-formyl-2-keto-ethyl)-2-nitro-benzoic acid Formula: C10H7NO6 MolecularWeight: 237.16568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7NO6/c12-4-6(5-13)7-2-1-3-8(10(14)15)9(7)11(16)17/h1-6H,(H,14,15)