2-(4-methanoyl-3,5-dinitro-phenyl)ethanoic acid

Systemtic Name: 2-(4-methanoyl-3,5-dinitro-phenyl)ethanoic acid Openeye Name: 2-(4-formyl-3,5-dinitro-phenyl)acetic acid CAS Name: 2-(4-formyl-3,5-dinitrophenyl)acetic acid IUPAC Name: 2-(4-formyl-3,5-dinitrophenyl)acetic acid Traditional Name: 2-(4-formyl-3,5-dinitro-phenyl)acetic acid Formula: C9H6N2O7 MolecularWeight: 254.15314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O7/c12-4-6-7(10(15)16)1-5(3-9(13)14)2-8(6)11(17)18/h1-2,4H,3H2,(H,13,14)