methyl 2-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]benzoate Traditional Name: 2-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]benzoic acid methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H24N4O4/c1-31-23(30)18-7-3-4-8-19(18)24-21(28)16-12-10-15(11-13-16)14-27-22(29)17-6-2-5-9-20(17)25-26-27/h2-9,15-16H,10-14H2,1H3,(H,24,28)