ethyl 6-[(5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-phenyl)carbonylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-phenyl)carbonylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[(3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzoyl)amino]pyridine-3-carboxylate CAS Name: 6-[[(3-tert-butyl-2-hydroxy-6-methyl-5-nitrophenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzoyl)amino]pyridine-3-carboxylate Traditional Name: 6-[(3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzoyl)amino]nicotinic acid ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NC(=O)C2=C(C(=CC(=C2C)[N+](=O)[O-])C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NC(=O)C2=C(C(=CC(=C2C)[N+](=O)[O-])C(C)(C)C)O

InChI

InChI=1S/C20H23N3O6/c1-6-29-19(26)12-7-8-15(21-10-12)22-18(25)16-11(2)14(23(27)28)9-13(17(16)24)20(3,4)5/h7-10,24H,6H2,1-5H3,(H,21,22,25)