N-ethylmethanamide; [1-(1-formamidoethyl)naphthalen-2-yl]boronic acid

Systemtic Name: N-ethylmethanamide; [1-(1-formamidoethyl)naphthalen-2-yl]boronic acid Openeye Name: N-ethylformamide; [1-(1-formamidoethyl)-2-naphthyl]boronic acid CAS Name: N-ethylformamide; [1-(1-formamidoethyl)-2-naphthalenyl]boronic acid IUPAC Name: N-ethylformamide; [1-(1-formamidoethyl)naphthalen-2-yl]boronic acid Traditional Name: N-ethylformamide; [1-(1-formamidoethyl)-2-naphthyl]boronic acid Formula: C16H21BN2O4 MolecularWeight: 316.15994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C2=CC=CC=C2C=C1)C(C)NC=O)(O)O.CCNC=O

Isomeric SMILES

B(C1=C(C2=CC=CC=C2C=C1)C(C)NC=O)(O)O.CCNC=O

InChI

InChI=1S/C13H14BNO3.C3H7NO/c1-9(15-8-16)13-11-5-3-2-4-10(11)6-7-12(13)14(17)18;1-2-4-3-5/h2-9,17-18H,1H3,(H,15,16);3H,2H2,1H3,(H,4,5)