1-cyanoethyl 2-methoxy-5-nitro-benzoate

Systemtic Name: 1-cyanoethyl 2-methoxy-5-nitro-benzoate Openeye Name: 1-cyanoethyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid 1-cyanoethyl ester Formula: C11H10N2O5 MolecularWeight: 250.2075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O5/c1-7(6-12)18-11(14)9-5-8(13(15)16)3-4-10(9)17-2/h3-5,7H,1-2H3