4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)butan-1-one

Systemtic Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)butan-1-one Openeye Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)butan-1-one CAS Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-butanone IUPAC Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)butan-1-one Traditional Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)butan-1-one Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)CCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(COC(OC1)CCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H21NO5/c1-16(2)10-21-15(22-11-16)8-4-7-14(18)12-5-3-6-13(9-12)17(19)20/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3