[(3-nitrophenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid

Systemtic Name: [(3-nitrophenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid Openeye Name: [(3-nitrophenyl)-(2-thienylmethylamino)methyl]phosphonic acid CAS Name: [(3-nitrophenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid IUPAC Name: [(3-nitrophenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid Traditional Name: [(3-nitrophenyl)-(2-thenylamino)methyl]phosphonic acid Formula: C12H13N2O5PS MolecularWeight: 328.280781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(NCC2=CC=CS2)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(NCC2=CC=CS2)P(=O)(O)O

InChI

InChI=1S/C12H13N2O5PS/c15-14(16)10-4-1-3-9(7-10)12(20(17,18)19)13-8-11-5-2-6-21-11/h1-7,12-13H,8H2,(H2,17,18,19)