methyl N-[4-(1,3-benzoxazol-2-ylmethoxy)-3-nitro-phenyl]carbamate

Systemtic Name: methyl N-[4-(1,3-benzoxazol-2-ylmethoxy)-3-nitro-phenyl]carbamate Openeye Name: methyl N-[4-(1,3-benzoxazol-2-ylmethoxy)-3-nitro-phenyl]carbamate CAS Name: N-[4-(1,3-benzoxazol-2-ylmethoxy)-3-nitrophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzoxazol-2-ylmethoxy)-3-nitrophenyl]carbamate Traditional Name: N-[4-(1,3-benzoxazol-2-ylmethoxy)-3-nitro-phenyl]carbamic acid methyl ester Formula: C16H13N3O6 MolecularWeight: 343.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c1-23-16(20)17-10-6-7-14(12(8-10)19(21)22)24-9-15-18-11-4-2-3-5-13(11)25-15/h2-8H,9H2,1H3,(H,17,20)