3-(4-dimethylaminophenyl)-6-nitro-3H-2-benzofuran-1-one

Systemtic Name: 3-(4-dimethylaminophenyl)-6-nitro-3H-2-benzofuran-1-one Openeye Name: 3-(4-dimethylaminophenyl)-6-nitro-3H-isobenzofuran-1-one CAS Name: 3-(4-dimethylaminophenyl)-6-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-(4-dimethylaminophenyl)-6-nitro-3H-2-benzofuran-1-one Traditional Name: 3-(4-dimethylaminophenyl)-6-nitro-phthalide Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H14N2O4/c1-17(2)11-5-3-10(4-6-11)15-13-8-7-12(18(20)21)9-14(13)16(19)22-15/h3-9,15H,1-2H3