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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 3-[(4-methoxyphenyl)methyl]-5-[(4-methyl-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylate IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 5-(4-methyl-2-nitro-benzoyl)-3-p-anisyl-triazole-4-carboxylate Formula: C19H15N4O6- MolecularWeight: 395.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-11-3-8-14(15(9-11)23(27)28)18(24)16-17(19(25)26)22(21-20-16)10-12-4-6-13(29-2)7-5-12/h3-9H,10H2,1-2H3,(H,25,26)/p-1