2-[(4-azido-2-nitro-5-oxidanyl-phenyl)amino]ethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

Systemtic Name: 2-[(4-azido-2-nitro-5-oxidanyl-phenyl)amino]ethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid Openeye Name: 2-(4-azido-5-hydroxy-2-nitro-anilino)ethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid CAS Name: 2-(4-azido-5-hydroxy-2-nitroanilino)ethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid IUPAC Name: 2-(4-azido-5-hydroxy-2-nitroanilino)ethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Traditional Name: 2-(4-azido-5-hydroxy-2-nitro-anilino)ethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid Formula: C8H12N5O12P3 MolecularWeight: 463.128463

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1[N+](=O)[O-])NCCP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])NCCP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C8H12N5O12P3/c9-12-11-6-3-7(13(15)16)5(4-8(6)14)10-1-2-26(17,18)24-28(22,23)25-27(19,20)21/h3-4,10,14H,1-2H2,(H,17,18)(H,22,23)(H2,19,20,21)