3-[(4-methoxyphenyl)methyl]-5-(2-nitrophenyl)carbonyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-(2-nitrophenyl)carbonyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-(2-nitrobenzoyl)triazole-4-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)methyl]-5-[(2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-(2-nitrobenzoyl)triazole-4-carboxylic acid Traditional Name: 5-(2-nitrobenzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C18H14N4O6 MolecularWeight: 382.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H14N4O6/c1-28-12-8-6-11(7-9-12)10-21-16(18(24)25)15(19-20-21)17(23)13-4-2-3-5-14(13)22(26)27/h2-9H,10H2,1H3,(H,24,25)