2-(2,2-dicyanoethyl)-5-nitro-benzoic acid

Systemtic Name: 2-(2,2-dicyanoethyl)-5-nitro-benzoic acid Openeye Name: 2-(2,2-dicyanoethyl)-5-nitro-benzoic acid CAS Name: 2-(2,2-dicyanoethyl)-5-nitrobenzoic acid IUPAC Name: 2-(2,2-dicyanoethyl)-5-nitrobenzoic acid Traditional Name: 2-(2,2-dicyanoethyl)-5-nitro-benzoic acid Formula: C11H7N3O4 MolecularWeight: 245.19098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O4/c12-5-7(6-13)3-8-1-2-9(14(17)18)4-10(8)11(15)16/h1-2,4,7H,3H2,(H,15,16)