1-cyanoethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 1-cyanoethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 1-cyanoethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 1-cyanoethyl ester Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c1-7(6-12)18-11(15)8-3-4-9(13-2)10(5-8)14(16)17/h3-5,7,13H,1-2H3