ethyl 2-tert-butyl-5-cyano-3-nitro-6-oxidanylidene-1H-pyridine-4-carboxylate

Systemtic Name: ethyl 2-tert-butyl-5-cyano-3-nitro-6-oxidanylidene-1H-pyridine-4-carboxylate Openeye Name: ethyl 2-tert-butyl-5-cyano-3-nitro-6-oxo-1H-pyridine-4-carboxylate CAS Name: 2-tert-butyl-5-cyano-3-nitro-6-oxo-1H-pyridine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-cyano-3-nitro-6-oxo-1H-pyridine-4-carboxylate Traditional Name: 2-tert-butyl-5-cyano-6-keto-3-nitro-1H-pyridine-4-carboxylic acid ethyl ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC(=C1[N+](=O)[O-])C(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC(=C1[N+](=O)[O-])C(C)(C)C)C#N

InChI

InChI=1S/C13H15N3O5/c1-5-21-12(18)8-7(6-14)11(17)15-10(13(2,3)4)9(8)16(19)20/h5H2,1-4H3,(H,15,17)