[4-[3-(ethoxycarbonylamino)phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[3-(ethoxycarbonylamino)phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[3-(ethoxycarbonylamino)phenyl]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[3-(ethoxycarbonylamino)phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[3-(ethoxycarbonylamino)phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[3-(carbethoxyamino)phenyl]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C13H19NO9P2 MolecularWeight: 395.238782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H19NO9P2/c1-2-23-13(16)14-10-5-3-4-9(8-10)11(15)6-7-12(24(17,18)19)25(20,21)22/h3-5,8,12H,2,6-7H2,1H3,(H,14,16)(H2,17,18,19)(H2,20,21,22)