2-[(2-azanyl-4-nitro-5-sulfamoyl-naphthalen-1-yl)amino]propan-2-ylphosphonic acid

Systemtic Name: 2-[(2-azanyl-4-nitro-5-sulfamoyl-naphthalen-1-yl)amino]propan-2-ylphosphonic acid Openeye Name: [1-[(2-amino-4-nitro-5-sulfamoyl-1-naphthyl)amino]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[(2-amino-4-nitro-5-sulfamoyl-1-naphthalenyl)amino]propan-2-ylphosphonic acid IUPAC Name: 2-[(2-amino-4-nitro-5-sulfamoylnaphthalen-1-yl)amino]propan-2-ylphosphonic acid Traditional Name: [1-[(2-amino-4-nitro-5-sulfamoyl-1-naphthyl)amino]-1-methyl-ethyl]phosphonic acid Formula: C13H17N4O7PS MolecularWeight: 404.335441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NC1=C2C=CC=C(C2=C(C=C1N)[N+](=O)[O-])S(=O)(=O)N)P(=O)(O)O

Isomeric SMILES

CC(C)(NC1=C2C=CC=C(C2=C(C=C1N)[N+](=O)[O-])S(=O)(=O)N)P(=O)(O)O

InChI

InChI=1S/C13H17N4O7PS/c1-13(2,25(20,21)22)16-12-7-4-3-5-10(26(15,23)24)11(7)9(17(18)19)6-8(12)14/h3-6,16H,14H2,1-2H3,(H2,15,23,24)(H2,20,21,22)