ethyl 2-[5-(5-diazanyl-5-oxidanylidene-pentyl)-3-methyl-2-oxidanyl-phenyl]benzotriazole-5-carboxylate

Systemtic Name: ethyl 2-[5-(5-diazanyl-5-oxidanylidene-pentyl)-3-methyl-2-oxidanyl-phenyl]benzotriazole-5-carboxylate Openeye Name: ethyl 2-[5-(5-hydrazino-5-oxo-pentyl)-2-hydroxy-3-methyl-phenyl]benzotriazole-5-carboxylate CAS Name: 2-[5-(5-hydrazinyl-5-oxopentyl)-2-hydroxy-3-methylphenyl]-5-benzotriazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-(5-hydrazinyl-5-oxopentyl)-2-hydroxy-3-methylphenyl]benzotriazole-5-carboxylate Traditional Name: 2-[5-(5-hydrazino-5-keto-pentyl)-2-hydroxy-3-methyl-phenyl]benzotriazole-5-carboxylic acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=NN(N=C2C=C1)C3=CC(=CC(=C3O)C)CCCCC(=O)NN

Isomeric SMILES

CCOC(=O)C1=CC2=NN(N=C2C=C1)C3=CC(=CC(=C3O)C)CCCCC(=O)NN

InChI

InChI=1S/C21H25N5O4/c1-3-30-21(29)15-8-9-16-17(12-15)25-26(24-16)18-11-14(10-13(2)20(18)28)6-4-5-7-19(27)23-22/h8-12,28H,3-7,22H2,1-2H3,(H,23,27)