3-methyl-4-nitro-butan-2-one

Systemtic Name: 3-methyl-4-nitro-butan-2-one Openeye Name: 3-methyl-4-nitro-butan-2-one CAS Name: 3-methyl-4-nitro-2-butanone IUPAC Name: 3-methyl-4-nitrobutan-2-one Traditional Name: 3-methyl-4-nitro-butan-2-one Formula: C5H9NO3 MolecularWeight: 131.12986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9NO3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3