1-[[3-methoxy-5-methyl-2-[5-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]phenyl]carbonylamino]ethylphosphonic acid

Systemtic Name: 1-[[3-methoxy-5-methyl-2-[5-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]phenyl]carbonylamino]ethylphosphonic acid Openeye Name: 1-[[2-(5-hydroxy-1,4-dioxo-2-naphthyl)-3-methoxy-5-methyl-benzoyl]amino]ethylphosphonic acid CAS Name: 1-[[[2-(5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylphenyl]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 1-[[2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoyl]amino]ethylphosphonic acid Traditional Name: 1-[[2-(5-hydroxy-1,4-diketo-2-naphthyl)-3-methoxy-5-methyl-benzoyl]amino]ethylphosphonic acid Formula: C21H20NO8P MolecularWeight: 445.359161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)NC(C)P(=O)(O)O)C2=CC(=O)C3=C(C2=O)C=CC=C3O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)NC(C)P(=O)(O)O)C2=CC(=O)C3=C(C2=O)C=CC=C3O)OC

InChI

InChI=1S/C21H20NO8P/c1-10-7-14(21(26)22-11(2)31(27,28)29)18(17(8-10)30-3)13-9-16(24)19-12(20(13)25)5-4-6-15(19)23/h4-9,11,23H,1-3H3,(H,22,26)(H2,27,28,29)