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

Systemtic Name: 1-[(2-azanyl-4-nitro-naphthalen-1-yl)amino]propylphosphonic acid Openeye Name: 1-[(2-amino-4-nitro-1-naphthyl)amino]propylphosphonic acid CAS Name: 1-[(2-amino-4-nitro-1-naphthalenyl)amino]propylphosphonic acid IUPAC Name: 1-[(2-amino-4-nitronaphthalen-1-yl)amino]propylphosphonic acid Traditional Name: 1-[(2-amino-4-nitro-1-naphthyl)amino]propylphosphonic acid Formula: C13H16N3O5P MolecularWeight: 325.257001

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])N)P(=O)(O)O

Isomeric SMILES

CCC(NC1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])N)P(=O)(O)O

InChI

InChI=1S/C13H16N3O5P/c1-2-12(22(19,20)21)15-13-9-6-4-3-5-8(9)11(16(17)18)7-10(13)14/h3-7,12,15H,2,14H2,1H3,(H2,19,20,21)