1-[[(3S)-1,4-bis(oxidanylidene)-2,3-dihydroisoquinolin-3-yl]carbonylamino]ethylphosphonous acid

Systemtic Name: 1-[[(3S)-1,4-bis(oxidanylidene)-2,3-dihydroisoquinolin-3-yl]carbonylamino]ethylphosphonous acid Openeye Name: 1-[[(3S)-1,4-dioxo-2,3-dihydroisoquinoline-3-carbonyl]amino]ethylphosphonous acid CAS Name: 1-[[[(3S)-1,4-dioxo-2,3-dihydroisoquinolin-3-yl]-oxomethyl]amino]ethylphosphonous acid IUPAC Name: 1-[[(3S)-1,4-dioxo-2,3-dihydroisoquinoline-3-carbonyl]amino]ethylphosphonous acid Traditional Name: 1-[[(3S)-1,4-diketo-2,3-dihydroisoquinoline-3-carbonyl]amino]ethylphosphonous acid Formula: C12H13N2O5P MolecularWeight: 296.215781

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1C(=O)C2=CC=CC=C2C(=O)N1)P(O)O

Isomeric SMILES

CC(NC(=O)[C@@H]1C(=O)C2=CC=CC=C2C(=O)N1)P(O)O

InChI

InChI=1S/C12H13N2O5P/c1-6(20(18)19)13-12(17)9-10(15)7-4-2-3-5-8(7)11(16)14-9/h2-6,9,18-19H,1H3,(H,13,17)(H,14,16)/t6?,9-/m0/s1