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

Systemtic Name: 5-[5-[(4-methoxyphenyl)methoxy]-2-nitro-phenyl]carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-[5-[(4-methoxyphenyl)methoxy]-2-nitro-benzoyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[[5-[(4-methoxyphenyl)methoxy]-2-nitrophenyl]-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-[5-[(4-methoxyphenyl)methoxy]-2-nitrobenzoyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(2-nitro-5-p-anisyloxy-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C26H22N4O8 MolecularWeight: 518.47488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=C(C=CC(=C3)OCC4=CC=C(C=C4)OC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=C(C=CC(=C3)OCC4=CC=C(C=C4)OC)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H22N4O8/c1-36-18-7-3-16(4-8-18)14-29-24(26(32)33)23(27-28-29)25(31)21-13-20(11-12-22(21)30(34)35)38-15-17-5-9-19(37-2)10-6-17/h3-13H,14-15H2,1-2H3,(H,32,33)