N-[(S)-(4-nitrophenyl)-phosphonato-methyl]-1,2,4-triazol-4-amine

Systemtic Name: N-[(S)-(4-nitrophenyl)-phosphonato-methyl]-1,2,4-triazol-4-amine Openeye Name: N-[(S)-(4-nitrophenyl)-phosphonato-methyl]-1,2,4-triazol-4-amine CAS Name: N-[(S)-(4-nitrophenyl)-phosphonatomethyl]-1,2,4-triazol-4-amine IUPAC Name: N-[(S)-(4-nitrophenyl)-phosphonatomethyl]-1,2,4-triazol-4-amine Traditional Name: [(S)-(4-nitrophenyl)-phosphonato-methyl]-(1,2,4-triazol-4-yl)amine Formula: C9H8N5O5P-2 MolecularWeight: 297.164081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(NN2C=NN=C2)P(=O)([O-])[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@@H](NN2C=NN=C2)P(=O)([O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N5O5P/c15-14(16)8-3-1-7(2-4-8)9(20(17,18)19)12-13-5-10-11-6-13/h1-6,9,12H,(H2,17,18,19)/p-2/t9-/m0/s1