[1-azanyl-3-(2,4-dinitrophenoxy)propan-2-yl]phosphonic acid

Systemtic Name: [1-azanyl-3-(2,4-dinitrophenoxy)propan-2-yl]phosphonic acid Openeye Name: [1-(aminomethyl)-2-(2,4-dinitrophenoxy)ethyl]phosphonic acid CAS Name: [1-amino-3-(2,4-dinitrophenoxy)propan-2-yl]phosphonic acid IUPAC Name: [1-amino-3-(2,4-dinitrophenoxy)propan-2-yl]phosphonic acid Traditional Name: [1-(aminomethyl)-2-(2,4-dinitrophenoxy)ethyl]phosphonic acid Formula: C9H12N3O8P MolecularWeight: 321.180641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(CN)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(CN)P(=O)(O)O

InChI

InChI=1S/C9H12N3O8P/c10-4-7(21(17,18)19)5-20-9-2-1-6(11(13)14)3-8(9)12(15)16/h1-3,7H,4-5,10H2,(H2,17,18,19)