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

Systemtic Name: 1-[3-[(4-methoxyphenyl)methyl]-4-methyl-2-nitro-phenyl]carbonyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-[(4-methoxyphenyl)methyl]-4-methyl-2-nitro-benzoyl]triazole-4-carboxylic acid CAS Name: 1-[[3-[(4-methoxyphenyl)methyl]-4-methyl-2-nitrophenyl]-oxomethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[3-[(4-methoxyphenyl)methyl]-4-methyl-2-nitrobenzoyl]triazole-4-carboxylic acid Traditional Name: 1-(4-methyl-2-nitro-3-p-anisyl-benzoyl)triazole-4-carboxylic acid Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)N2C=C(N=N2)C(=O)O)[N+](=O)[O-])CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)N2C=C(N=N2)C(=O)O)[N+](=O)[O-])CC3=CC=C(C=C3)OC

InChI

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