1-cyanoethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 1-cyanoethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 1-cyanoethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 1-cyanoethyl ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c1-7(6-13)20-12(15)8-4-10(18-2)11(19-3)5-9(8)14(16)17/h4-5,7H,1-3H3