(2-methylphenyl)methyl 2-ethyl-5-[(2-ethyl-6-methyl-phenyl)methoxy]-6-nitro-pyridine-3-carboxylate

Systemtic Name: (2-methylphenyl)methyl 2-ethyl-5-[(2-ethyl-6-methyl-phenyl)methoxy]-6-nitro-pyridine-3-carboxylate Openeye Name: o-tolylmethyl 2-ethyl-5-[(2-ethyl-6-methyl-phenyl)methoxy]-6-nitro-pyridine-3-carboxylate CAS Name: 2-ethyl-5-[(2-ethyl-6-methylphenyl)methoxy]-6-nitro-3-pyridinecarboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 2-ethyl-5-[(2-ethyl-6-methylphenyl)methoxy]-6-nitropyridine-3-carboxylate Traditional Name: 2-ethyl-5-(2-ethyl-6-methyl-benzyl)oxy-6-nitro-nicotinic acid (2-methylbenzyl) ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1COC2=C(N=C(C(=C2)C(=O)OCC3=CC=CC=C3C)CC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1COC2=C(N=C(C(=C2)C(=O)OCC3=CC=CC=C3C)CC)[N+](=O)[O-])C

InChI

InChI=1S/C26H28N2O5/c1-5-19-13-9-11-18(4)22(19)16-32-24-14-21(23(6-2)27-25(24)28(30)31)26(29)33-15-20-12-8-7-10-17(20)3/h7-14H,5-6,15-16H2,1-4H3