N,N-diethylethanamine; [4-(phenylcarbamoyl)phenyl]phosphonic acid

Systemtic Name: N,N-diethylethanamine; [4-(phenylcarbamoyl)phenyl]phosphonic acid Openeye Name: N,N-diethylethanamine; [4-(phenylcarbamoyl)phenyl]phosphonic acid CAS Name: [4-[anilino(oxo)methyl]phenyl]phosphonic acid; N,N-diethylethanamine IUPAC Name: N,N-diethylethanamine; [4-(phenylcarbamoyl)phenyl]phosphonic acid Traditional Name: [4-(phenylcarbamoyl)phenyl]phosphonic acid; triethylamine Formula: C19H27N2O4P MolecularWeight: 378.402441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)P(=O)(O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)P(=O)(O)O

InChI

InChI=1S/C13H12NO4P.C6H15N/c15-13(14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)19(16,17)18;1-4-7(5-2)6-3/h1-9H,(H,14,15)(H2,16,17,18);4-6H2,1-3H3