chloranylbenzene; ethyl 2-(1,3-benzoxazol-6-yl)propanoate

Systemtic Name: chloranylbenzene; ethyl 2-(1,3-benzoxazol-6-yl)propanoate Openeye Name: chlorobenzene; ethyl 2-(1,3-benzoxazol-6-yl)propanoate CAS Name: 2-(1,3-benzoxazol-6-yl)propanoic acid ethyl ester; chlorobenzene IUPAC Name: chlorobenzene; ethyl 2-(1,3-benzoxazol-6-yl)propanoate Traditional Name: 2-(1,3-benzoxazol-6-yl)propionic acid ethyl ester; chlorobenzene Formula: C18H18ClNO3 MolecularWeight: 331.79342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CC2=C(C=C1)N=CO2.C1=CC=C(C=C1)Cl

Isomeric SMILES

CCOC(=O)C(C)C1=CC2=C(C=C1)N=CO2.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H13NO3.C6H5Cl/c1-3-15-12(14)8(2)9-4-5-10-11(6-9)16-7-13-10;7-6-4-2-1-3-5-6/h4-8H,3H2,1-2H3;1-5H