methyl 5-nitro-2-(2-oxidanylpropylamino)benzoate

Systemtic Name: methyl 5-nitro-2-(2-oxidanylpropylamino)benzoate Openeye Name: methyl 2-(2-hydroxypropylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxypropylamino)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-hydroxypropylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxypropylamino)-5-nitro-benzoic acid methyl ester Formula: C11H14N2O5 MolecularWeight: 254.23926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC)O

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC)O

InChI

InChI=1S/C11H14N2O5/c1-7(14)6-12-10-4-3-8(13(16)17)5-9(10)11(15)18-2/h3-5,7,12,14H,6H2,1-2H3