[2-[1-azanyl-2-(2,3-dicarboxyoxyphenyl)-1-oxidanylidene-propan-2-yl]-6-carboxyoxy-phenyl] hydrogen carbonate

Systemtic Name: [2-[1-azanyl-2-(2,3-dicarboxyoxyphenyl)-1-oxidanylidene-propan-2-yl]-6-carboxyoxy-phenyl] hydrogen carbonate Openeye Name: [2-[2-amino-1-(2,3-dicarboxyoxyphenyl)-1-methyl-2-oxo-ethyl]-6-carboxyoxy-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[1-amino-2-(2,3-dicarboxyoxyphenyl)-1-oxopropan-2-yl]-6-carboxyoxyphenyl] ester IUPAC Name: [2-[1-amino-2-(2,3-dicarboxyoxyphenyl)-1-oxopropan-2-yl]-6-carboxyoxyphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[2-amino-1-(2,3-dicarboxyoxyphenyl)-2-keto-1-methyl-ethyl]-6-carboxyoxy-phenyl] ester Formula: C19H15NO13 MolecularWeight: 465.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC=C1)OC(=O)O)OC(=O)O)(C2=C(C(=CC=C2)OC(=O)O)OC(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C(=CC=C1)OC(=O)O)OC(=O)O)(C2=C(C(=CC=C2)OC(=O)O)OC(=O)O)C(=O)N

InChI

InChI=1S/C19H15NO13/c1-19(14(20)21,8-4-2-6-10(30-15(22)23)12(8)32-17(26)27)9-5-3-7-11(31-16(24)25)13(9)33-18(28)29/h2-7H,1H3,(H2,20,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)