3,3-bis(4-dimethylaminophenyl)-5-nitro-2-benzofuran-1-one

Systemtic Name: 3,3-bis(4-dimethylaminophenyl)-5-nitro-2-benzofuran-1-one Openeye Name: 3,3-bis(4-dimethylaminophenyl)-5-nitro-isobenzofuran-1-one CAS Name: 3,3-bis(4-dimethylaminophenyl)-5-nitro-1-isobenzofuranone IUPAC Name: 3,3-bis(4-dimethylaminophenyl)-5-nitro-2-benzofuran-1-one Traditional Name: 3,3-bis(4-dimethylaminophenyl)-5-nitro-phthalide Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C24H23N3O4/c1-25(2)18-9-5-16(6-10-18)24(17-7-11-19(12-8-17)26(3)4)22-15-20(27(29)30)13-14-21(22)23(28)31-24/h5-15H,1-4H3