methyl 3-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

InChI

InChI=1S/C20H22N4O4/c1-4-13(2)14-5-8-16(9-6-14)21-19(25)12-28-24-18-11-15(20(26)27-3)7-10-17(18)22-23-24/h5-11,13H,4,12H2,1-3H3,(H,21,25)/t13-/m0/s1