3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-2,3,5,7-tetrahydro-1-benzofuran-4-one

Systemtic Name: 3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-2,3,5,7-tetrahydro-1-benzofuran-4-one Openeye Name: 3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-2,3,5,7-tetrahydrobenzofuran-4-one CAS Name: 3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-2,3,5,7-tetrahydrobenzofuran-4-one IUPAC Name: 3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-2,3,5,7-tetrahydro-1-benzofuran-4-one Traditional Name: 3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-2,3,5,7-tetrahydrobenzofuran-4-one Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)C1)C

InChI

InChI=1S/C16H16ClNO4/c1-16(2)7-11(19)14-12(8-16)22-15(18(20)21)13(14)9-3-5-10(17)6-4-9/h3-6,13,15H,7-8H2,1-2H3