(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O5/c1-2-3-12-29-16-10-8-15(9-11-16)20(27)22-13-19(26)30-14-25-21(28)17-6-4-5-7-18(17)23-24-25/h4-11H,2-3,12-14H2,1H3,(H,22,27)