(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H24N4O5/c1-4-30-18-12-8-6-10-16(18)20(27)23-19(14(2)3)22(29)31-13-26-21(28)15-9-5-7-11-17(15)24-25-26/h5-12,14,19H,4,13H2,1-3H3,(H,23,27)