4-methyl-3-nitro-2-oxidanyl-5-(pyridin-2-ylamino)benzoic acid

Systemtic Name: 4-methyl-3-nitro-2-oxidanyl-5-(pyridin-2-ylamino)benzoic acid Openeye Name: 2-hydroxy-4-methyl-3-nitro-5-(2-pyridylamino)benzoic acid CAS Name: 2-hydroxy-4-methyl-3-nitro-5-(2-pyridinylamino)benzoic acid IUPAC Name: 2-hydroxy-4-methyl-3-nitro-5-(pyridin-2-ylamino)benzoic acid Traditional Name: 2-hydroxy-4-methyl-3-nitro-5-(2-pyridylamino)benzoic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)NC2=CC=CC=N2

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)NC2=CC=CC=N2

InChI

InChI=1S/C13H11N3O5/c1-7-9(15-10-4-2-3-5-14-10)6-8(13(18)19)12(17)11(7)16(20)21/h2-6,17H,1H3,(H,14,15)(H,18,19)