[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O4/c1-3-6-19(26)22-16-11-9-15(10-12-16)21(28)14(2)29-20(27)13-25-18-8-5-4-7-17(18)23-24-25/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,26)