(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21N3O4/c1-17-13-14-22-20(15-23(31)34-24(22)18(17)2)16-33-27(32)25-28-26(19-9-5-3-6-10-19)30(29-25)21-11-7-4-8-12-21/h3-15H,16H2,1-2H3