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3-methoxy-5,6-dimethyl-3-(nitromethyl)-2-benzofuran-1-one

3-methoxy-5,6-dimethyl-3-(nitromethyl)-2-benzofuran-1-one

Systemtic Name:3-methoxy-5,6-dimethyl-3-(nitromethyl)-2-benzofuran-1-one
Openeye Name:3-methoxy-5,6-dimethyl-3-(nitromethyl)isobenzofuran-1-one
CAS Name:3-methoxy-5,6-dimethyl-3-(nitromethyl)-1-isobenzofuranone
IUPAC Name:3-methoxy-5,6-dimethyl-3-(nitromethyl)-2-benzofuran-1-one
Traditional Name:3-methoxy-5,6-dimethyl-3-(nitromethyl)phthalide
Formula: C12H13NO5
MolecularWeight: 251.23532
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)OC2(C[N+](=O)[O-])OC)C


Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)OC2(C[N+](=O)[O-])OC)C


InChI

InChI=1S/C12H13NO5/c1-7-4-9-10(5-8(7)2)12(17-3,6-13(15)16)18-11(9)14/h4-5H,6H2,1-3H3


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