1-cyanoethyl 2-azanyl-5-nitro-benzoate

Systemtic Name: 1-cyanoethyl 2-azanyl-5-nitro-benzoate Openeye Name: 1-cyanoethyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid 1-cyanoethyl ester Formula: C10H9N3O4 MolecularWeight: 235.19616

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-])N

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O4/c1-6(5-11)17-10(14)8-4-7(13(15)16)2-3-9(8)12/h2-4,6H,12H2,1H3