2-ethylhexyl 3-[(6-nitro-4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzoate

Systemtic Name: 2-ethylhexyl 3-[(6-nitro-4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzoate Openeye Name: 2-ethylhexyl 3-[(6-nitro-4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoate CAS Name: 3-[(6-nitro-4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[(6-nitro-4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-6-nitro-1,2,3-benzotriazin-3-yl)methyl]benzoic acid 2-ethylhexyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C23H26N4O5/c1-3-5-7-16(4-2)15-32-23(29)18-9-6-8-17(12-18)14-26-22(28)20-13-19(27(30)31)10-11-21(20)24-25-26/h6,8-13,16H,3-5,7,14-15H2,1-2H3