[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-3-phenylazanyl-propyl]phosphonic acid

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-3-phenylazanyl-propyl]phosphonic acid Openeye Name: [3-anilino-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-propyl]phosphonic acid CAS Name: [3-anilino-2-(1,3-benzodioxol-5-ylmethyl)-3-oxopropyl]phosphonic acid IUPAC Name: [3-anilino-2-(1,3-benzodioxol-5-ylmethyl)-3-oxopropyl]phosphonic acid Traditional Name: (3-anilino-3-keto-2-piperonyl-propyl)phosphonic acid Formula: C17H18NO6P MolecularWeight: 363.301681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CP(=O)(O)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CP(=O)(O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H18NO6P/c19-17(18-14-4-2-1-3-5-14)13(10-25(20,21)22)8-12-6-7-15-16(9-12)24-11-23-15/h1-7,9,13H,8,10-11H2,(H,18,19)(H2,20,21,22)