4,4-dimethoxy-1-(2-nitrophenyl)butan-2-one

Systemtic Name: 4,4-dimethoxy-1-(2-nitrophenyl)butan-2-one Openeye Name: 4,4-dimethoxy-1-(2-nitrophenyl)butan-2-one CAS Name: 4,4-dimethoxy-1-(2-nitrophenyl)-2-butanone IUPAC Name: 4,4-dimethoxy-1-(2-nitrophenyl)butan-2-one Traditional Name: 4,4-dimethoxy-1-(2-nitrophenyl)butan-2-one Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(=O)CC1=CC=CC=C1[N+](=O)[O-])OC

Isomeric SMILES

COC(CC(=O)CC1=CC=CC=C1[N+](=O)[O-])OC

InChI

InChI=1S/C12H15NO5/c1-17-12(18-2)8-10(14)7-9-5-3-4-6-11(9)13(15)16/h3-6,12H,7-8H2,1-2H3