ethyl 3-methyl-4-nitro-3-pyridin-2-yl-butanoate

Systemtic Name: ethyl 3-methyl-4-nitro-3-pyridin-2-yl-butanoate Openeye Name: ethyl 3-methyl-4-nitro-3-(2-pyridyl)butanoate CAS Name: 3-methyl-4-nitro-3-(2-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-nitro-3-pyridin-2-ylbutanoate Traditional Name: 3-methyl-4-nitro-3-(2-pyridyl)butyric acid ethyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C[N+](=O)[O-])C1=CC=CC=N1

Isomeric SMILES

CCOC(=O)CC(C)(C[N+](=O)[O-])C1=CC=CC=N1

InChI

InChI=1S/C12H16N2O4/c1-3-18-11(15)8-12(2,9-14(16)17)10-6-4-5-7-13-10/h4-7H,3,8-9H2,1-2H3