methyl 4-[(4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[(4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl)methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[(4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl)methyl]cyclohexanecarboxylate CAS Name: 4-[(4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl)methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl)methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(4-keto-4aH-1,2,3-benzotriazin-3-ium-3-yl)methyl]cyclohexanecarboxylic acid methyl ester Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C[N+]2=NN=C3C=CC=CC3C2=O

Isomeric SMILES

COC(=O)C1CCC(CC1)C[N+]2=NN=C3C=CC=CC3C2=O

InChI

InChI=1S/C16H20N3O3/c1-22-16(21)12-8-6-11(7-9-12)10-19-15(20)13-4-2-3-5-14(13)17-18-19/h2-5,11-13H,6-10H2,1H3/q+1