2-ethylhexyl 3-[(2-chloranyl-5-nitro-phenyl)methyl]-4-oxidanylidene-1,2,3-benzotriazine-6-carboxylate

Systemtic Name: 2-ethylhexyl 3-[(2-chloranyl-5-nitro-phenyl)methyl]-4-oxidanylidene-1,2,3-benzotriazine-6-carboxylate Openeye Name: 2-ethylhexyl 3-[(2-chloro-5-nitro-phenyl)methyl]-4-oxo-1,2,3-benzotriazine-6-carboxylate CAS Name: 3-[(2-chloro-5-nitrophenyl)methyl]-4-oxo-1,2,3-benzotriazine-6-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[(2-chloro-5-nitrophenyl)methyl]-4-oxo-1,2,3-benzotriazine-6-carboxylate Traditional Name: 3-(2-chloro-5-nitro-benzyl)-4-keto-1,2,3-benzotriazine-6-carboxylic acid 2-ethylhexyl ester Formula: C23H25ClN4O5 MolecularWeight: 472.9214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC2=C(C=C1)N=NN(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC2=C(C=C1)N=NN(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H25ClN4O5/c1-3-5-6-15(4-2)14-33-23(30)16-7-10-21-19(12-16)22(29)27(26-25-21)13-17-11-18(28(31)32)8-9-20(17)24/h7-12,15H,3-6,13-14H2,1-2H3