2-[3-(5-nitrobenzotriazol-2-yl)-4-oxidanyl-phenyl]ethyl 2-methylprop-2-enoate

Systemtic Name: 2-[3-(5-nitrobenzotriazol-2-yl)-4-oxidanyl-phenyl]ethyl 2-methylprop-2-enoate Openeye Name: 2-[4-hydroxy-3-(5-nitrobenzotriazol-2-yl)phenyl]ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[4-hydroxy-3-(5-nitro-2-benzotriazolyl)phenyl]ethyl ester IUPAC Name: 2-[4-hydroxy-3-(5-nitrobenzotriazol-2-yl)phenyl]ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-[4-hydroxy-3-(5-nitrobenzotriazol-2-yl)phenyl]ethyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCC1=CC(=C(C=C1)O)N2N=C3C=CC(=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C(=O)OCCC1=CC(=C(C=C1)O)N2N=C3C=CC(=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-11(2)18(24)27-8-7-12-3-6-17(23)16(9-12)21-19-14-5-4-13(22(25)26)10-15(14)20-21/h3-6,9-10,23H,1,7-8H2,2H3