2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid Openeye Name: 2-[2-(cyanomethylamino)-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[2-(cyanomethylamino)-2-oxoethoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2-(cyanomethylamino)-2-oxoethoxy]-5-nitrobenzoic acid Traditional Name: 2-[2-(cyanomethylamino)-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C11H9N3O6 MolecularWeight: 279.20566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O6/c12-3-4-13-10(15)6-20-9-2-1-7(14(18)19)5-8(9)11(16)17/h1-2,5H,4,6H2,(H,13,15)(H,16,17)