methyl 3-methoxy-4-[(6-nitrobenzotriazol-1-yl)methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[(6-nitrobenzotriazol-1-yl)methyl]benzoate Openeye Name: methyl 3-methoxy-4-[(6-nitrobenzotriazol-1-yl)methyl]benzoate CAS Name: 3-methoxy-4-[(6-nitro-1-benzotriazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[(6-nitrobenzotriazol-1-yl)methyl]benzoate Traditional Name: 3-methoxy-4-[(6-nitrobenzotriazol-1-yl)methyl]benzoic acid methyl ester Formula: C16H14N4O5 MolecularWeight: 342.30616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C16H14N4O5/c1-24-15-7-10(16(21)25-2)3-4-11(15)9-19-14-8-12(20(22)23)5-6-13(14)17-18-19/h3-8H,9H2,1-2H3