methyl 3-[2-(butylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-(butylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(butylamino)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(butylamino)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(butylamino)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-(butylamino)-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CON1C2=C(C=CC(=C2)C(=O)OC)N=N1

Isomeric SMILES

CCCCNC(=O)CON1C2=C(C=CC(=C2)C(=O)OC)N=N1

InChI

InChI=1S/C14H18N4O4/c1-3-4-7-15-13(19)9-22-18-12-8-10(14(20)21-2)5-6-11(12)16-17-18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,19)