methyl 2-cyano-3-methyl-3-(nitromethyl)-4-oxidanylidene-pentanoate

Systemtic Name: methyl 2-cyano-3-methyl-3-(nitromethyl)-4-oxidanylidene-pentanoate Openeye Name: methyl 2-cyano-3-methyl-3-(nitromethyl)-4-oxo-pentanoate CAS Name: 2-cyano-3-methyl-3-(nitromethyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-methyl-3-(nitromethyl)-4-oxopentanoate Traditional Name: 2-cyano-4-keto-3-methyl-3-(nitromethyl)valeric acid methyl ester Formula: C9H12N2O5 MolecularWeight: 228.20198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C[N+](=O)[O-])C(C#N)C(=O)OC

Isomeric SMILES

CC(=O)C(C)(C[N+](=O)[O-])C(C#N)C(=O)OC

InChI

InChI=1S/C9H12N2O5/c1-6(12)9(2,5-11(14)15)7(4-10)8(13)16-3/h7H,5H2,1-3H3