butyl 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoate

Systemtic Name: butyl 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoate Openeye Name: butyl 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetate CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetic acid butyl ester IUPAC Name: butyl 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetate Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetic acid butyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C=C(C=C(C1=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CN1C=C(C=C(C1=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-2-3-4-20-11(16)8-14-7-10(15(18)19)5-9(6-13)12(14)17/h5,7H,2-4,8H2,1H3