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

Systemtic Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-nitro-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)vinyl]-5-nitro-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-nitro-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-nitro-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)vinyl]-5-nitro-phthalide Formula: C44H45N5O4 MolecularWeight: 707.8592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=CC2(C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O2)C=C(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=CC2(C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O2)C=C(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C44H45N5O4/c1-45(2)34-17-9-30(10-18-34)40(31-11-19-35(20-12-31)46(3)4)28-44(42-27-38(49(51)52)25-26-39(42)43(50)53-44)29-41(32-13-21-36(22-14-32)47(5)6)33-15-23-37(24-16-33)48(7)8/h9-29H,1-8H3