3-(4-hydroxyphenyl)-2-nitramido-propanoic acid; 3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-nitramido-propanoic acid; 3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-nitramido-propanoic acid; 3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-nitramidopropanoic acid; 3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-nitramidopropanoic acid; 3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-nitramido-propionic acid; 3-(4-hydroxyphenyl)-2-(phosphonoamino)propionic acid Formula: C18H22N3O11P MolecularWeight: 487.354541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N[N+](=O)[O-])O.C1=CC(=CC=C1CC(C(=O)O)NP(=O)(O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N[N+](=O)[O-])O.C1=CC(=CC=C1CC(C(=O)O)NP(=O)(O)O)O

InChI

InChI=1S/C9H10N2O5.C9H12NO6P/c12-7-3-1-6(2-4-7)5-8(9(13)14)10-11(15)16;11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16/h1-4,8,10,12H,5H2,(H,13,14);1-4,8,11H,5H2,(H,12,13)(H3,10,14,15,16)