5-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2,2-dimethyl-1,3-dioxan-4-one

Systemtic Name: 5-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2,2-dimethyl-1,3-dioxan-4-one Openeye Name: 5-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2,2-dimethyl-1,3-dioxan-4-one CAS Name: 5-(6-bromo-5-methoxy-2-nitro-1-cyclohexa-2,4-dienyl)-2,2-dimethyl-1,3-dioxan-4-one IUPAC Name: 5-(6-bromo-5-methoxy-2-nitrocyclohexa-2,4-dien-1-yl)-2,2-dimethyl-1,3-dioxan-4-one Traditional Name: 5-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2,2-dimethyl-1,3-dioxan-4-one Formula: C13H16BrNO6 MolecularWeight: 362.17324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(=O)O1)C2C(C(=CC=C2[N+](=O)[O-])OC)Br)C

Isomeric SMILES

CC1(OCC(C(=O)O1)C2C(C(=CC=C2[N+](=O)[O-])OC)Br)C

InChI

InChI=1S/C13H16BrNO6/c1-13(2)20-6-7(12(16)21-13)10-8(15(17)18)4-5-9(19-3)11(10)14/h4-5,7,10-11H,6H2,1-3H3