methyl 3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CON1C2=C(C=CC(=C2)C(=O)OC)N=N1

Isomeric SMILES

CC[C@H](C)NC(=O)CON1C2=C(C=CC(=C2)C(=O)OC)N=N1

InChI

InChI=1S/C14H18N4O4/c1-4-9(2)15-13(19)8-22-18-12-7-10(14(20)21-3)5-6-11(12)16-17-18/h5-7,9H,4,8H2,1-3H3,(H,15,19)/t9-/m0/s1