(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)N(N=N4)CC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)N(N=N4)CC)O

InChI

InChI=1S/C21H19N3O5/c1-3-12-7-15-14(9-20(26)29-19(15)10-18(12)25)11-28-21(27)13-5-6-17-16(8-13)22-23-24(17)4-2/h5-10,25H,3-4,11H2,1-2H3