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

Systemtic Name: 1-[(2-azanyl-4-nitro-naphthalen-1-yl)amino]butylphosphonic acid Openeye Name: 1-[(2-amino-4-nitro-1-naphthyl)amino]butylphosphonic acid CAS Name: 1-[(2-amino-4-nitro-1-naphthalenyl)amino]butylphosphonic acid IUPAC Name: 1-[(2-amino-4-nitronaphthalen-1-yl)amino]butylphosphonic acid Traditional Name: 1-[(2-amino-4-nitro-1-naphthyl)amino]butylphosphonic acid Formula: C14H18N3O5P MolecularWeight: 339.283581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N3O5P/c1-2-5-13(23(20,21)22)16-14-10-7-4-3-6-9(10)12(17(18)19)8-11(14)15/h3-4,6-8,13,16H,2,5,15H2,1H3,(H2,20,21,22)