ethyl 1-[7-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]-4-phosphonato-imidazole-2-carboxylate

Systemtic Name: ethyl 1-[7-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]-4-phosphonato-imidazole-2-carboxylate Openeye Name: ethyl 1-[4-(2-ethoxy-2-oxo-ethyl)-1-oxo-indan-2-yl]-4-phosphonato-imidazole-2-carboxylate CAS Name: 1-[7-(2-ethoxy-2-oxoethyl)-3-oxo-1,2-dihydroinden-2-yl]-4-phosphonato-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(2-ethoxy-2-oxoethyl)-3-oxo-1,2-dihydroinden-2-yl]-4-phosphonatoimidazole-2-carboxylate Traditional Name: 1-[4-(2-ethoxy-2-keto-ethyl)-1-keto-indan-2-yl]-4-phosphonato-imidazole-2-carboxylic acid ethyl ester Formula: C19H19N2O8P-2 MolecularWeight: 434.336521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC2=C1CC(C2=O)N3C=C(N=C3C(=O)OCC)P(=O)([O-])[O-]

Isomeric SMILES

CCOC(=O)CC1=CC=CC2=C1CC(C2=O)N3C=C(N=C3C(=O)OCC)P(=O)([O-])[O-]

InChI

InChI=1S/C19H21N2O8P/c1-3-28-16(22)8-11-6-5-7-12-13(11)9-14(17(12)23)21-10-15(30(25,26)27)20-18(21)19(24)29-4-2/h5-7,10,14H,3-4,8-9H2,1-2H3,(H2,25,26,27)/p-2