4-[[methanoyl-(5-nitrofuran-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[methanoyl-(5-nitrofuran-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[formyl-(5-nitro-2-furyl)amino]methyl]benzoic acid CAS Name: 4-[[formyl-(5-nitro-2-furanyl)amino]methyl]benzoic acid IUPAC Name: 4-[[formyl-(5-nitrofuran-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[formyl-(5-nitro-2-furyl)amino]methyl]benzoic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N2O6/c16-8-14(11-5-6-12(21-11)15(19)20)7-9-1-3-10(4-2-9)13(17)18/h1-6,8H,7H2,(H,17,18)