ethyl 2-[(2-nitro-5-oxidanyl-phenyl)amino]butanoate

Systemtic Name: ethyl 2-[(2-nitro-5-oxidanyl-phenyl)amino]butanoate Openeye Name: ethyl 2-(5-hydroxy-2-nitro-anilino)butanoate CAS Name: 2-(5-hydroxy-2-nitroanilino)butanoic acid ethyl ester IUPAC Name: ethyl 2-(5-hydroxy-2-nitroanilino)butanoate Traditional Name: 2-(5-hydroxy-2-nitro-anilino)butyric acid ethyl ester Formula: C12H16N2O5 MolecularWeight: 268.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)NC1=C(C=CC(=C1)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OCC)NC1=C(C=CC(=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5/c1-3-9(12(16)19-4-2)13-10-7-8(15)5-6-11(10)14(17)18/h5-7,9,13,15H,3-4H2,1-2H3