4-(1,3-benzodioxol-5-yl)-5-nitro-pentan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-pentan-2-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-pentan-2-one CAS Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-2-pentanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-nitropentan-2-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-pentan-2-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)CC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13NO5/c1-8(14)4-10(6-13(15)16)9-2-3-11-12(5-9)18-7-17-11/h2-3,5,10H,4,6-7H2,1H3