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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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