methyl 3-[2-(benzotriazol-1-yl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(benzotriazol-1-yl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N4O3/c1-11-7-8-12(17(23)24-2)9-14(11)18-16(22)10-21-15-6-4-3-5-13(15)19-20-21/h3-9H,10H2,1-2H3,(H,18,22)