(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(phenylmethyl)amino]prop-2-enal

Systemtic Name: (E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(phenylmethyl)amino]prop-2-enal Openeye Name: (E)-3-(benzylamino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal CAS Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[(phenylmethyl)amino]-2-propenal IUPAC Name: (E)-3-(benzylamino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal Traditional Name: (E)-3-(benzylamino)-2-(5-chloro-1,3-benzoxazol-2-yl)acrolein Formula: C17H13ClN2O2 MolecularWeight: 312.75032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC=C(C=O)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN/C=C(/C=O)\C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C17H13ClN2O2/c18-14-6-7-16-15(8-14)20-17(22-16)13(11-21)10-19-9-12-4-2-1-3-5-12/h1-8,10-11,19H,9H2/b13-10-