4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethoxy]-3-nitro-benzoic acid CAS Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3-nitrobenzoic acid IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethoxy]-3-nitrobenzoic acid Traditional Name: 4-[2-(cyanomethylamino)-2-keto-ethoxy]-3-nitro-benzoic acid Formula: C11H9N3O6 MolecularWeight: 279.20566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC(=O)NCC#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC(=O)NCC#N

InChI

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