[[(2-ethoxy-2-oxidanylidene-ethyl)amino]-[(4-nitrophenyl)methoxy]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[(2-ethoxy-2-oxidanylidene-ethyl)amino]-[(4-nitrophenyl)methoxy]-oxidanyl-methyl]phosphonic acid Openeye Name: [[(2-ethoxy-2-oxo-ethyl)amino]-hydroxy-[(4-nitrophenyl)methoxy]methyl]phosphonic acid CAS Name: [[(2-ethoxy-2-oxoethyl)amino]-hydroxy-[(4-nitrophenyl)methoxy]methyl]phosphonic acid IUPAC Name: [[(2-ethoxy-2-oxoethyl)amino]-hydroxy-[(4-nitrophenyl)methoxy]methyl]phosphonic acid Traditional Name: [[(2-ethoxy-2-keto-ethyl)amino]-hydroxy-(4-nitrobenzyl)oxy-methyl]phosphonic acid Formula: C12H17N2O9P MolecularWeight: 364.245141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(O)(OCC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCOC(=O)CNC(O)(OCC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C12H17N2O9P/c1-2-22-11(15)7-13-12(16,24(19,20)21)23-8-9-3-5-10(6-4-9)14(17)18/h3-6,13,16H,2,7-8H2,1H3,(H2,19,20,21)