[2-azanyl-3-carboxyoxy-6-[2-(2-dimethylphosphorylethoxyamino)-2-oxidanylidene-ethyl]azulen-1-yl] hydrogen carbonate

Systemtic Name: [2-azanyl-3-carboxyoxy-6-[2-(2-dimethylphosphorylethoxyamino)-2-oxidanylidene-ethyl]azulen-1-yl] hydrogen carbonate Openeye Name: [2-amino-3-carboxyoxy-6-[2-(2-dimethylphosphorylethoxyamino)-2-oxo-ethyl]azulen-1-yl] hydrogen carbonate CAS Name: carbonic acid [2-amino-3-carboxyoxy-6-[2-(2-dimethylphosphorylethoxyamino)-2-oxoethyl]-1-azulenyl] ester IUPAC Name: [2-amino-3-carboxyoxy-6-[2-(2-dimethylphosphorylethoxyamino)-2-oxoethyl]azulen-1-yl] hydrogen carbonate Traditional Name: carbonic acid [2-amino-3-carboxyoxy-6-[2-(2-dimethylphosphorylethoxyamino)-2-keto-ethyl]azulen-1-yl] ester Formula: C18H21N2O9P MolecularWeight: 440.341101

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)CCONC(=O)CC1=CC=C2C(=C(C(=C2OC(=O)O)N)OC(=O)O)C=C1

Isomeric SMILES

CP(=O)(C)CCONC(=O)CC1=CC=C2C(=C(C(=C2OC(=O)O)N)OC(=O)O)C=C1

InChI

InChI=1S/C18H21N2O9P/c1-30(2,26)8-7-27-20-13(21)9-10-3-5-11-12(6-4-10)16(29-18(24)25)14(19)15(11)28-17(22)23/h3-6H,7-9,19H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)