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

Systemtic Name: 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid Openeye Name: 2-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-nitrobenzoic acid Traditional Name: 2-[2-(2-cyanoethylamino)-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O6/c13-4-1-5-14-11(16)7-21-10-3-2-8(15(19)20)6-9(10)12(17)18/h2-3,6H,1,5,7H2,(H,14,16)(H,17,18)