3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-6-nitro-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-6-nitro-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)vinyl]-6-nitro-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(1-pyrrolidinyl)phenyl]ethenyl]-6-nitro-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-6-nitro-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-pyrrolidinophenyl)vinyl]-6-nitro-phthalide Formula: C52H53N5O4 MolecularWeight: 812.00832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=CC3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3)C=C(C5=CC=C(C=C5)N6CCCC6)C7=CC=C(C=C7)N8CCCC8)C9=CC=C(C=C9)N1CCCC1

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=CC3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3)C=C(C5=CC=C(C=C5)N6CCCC6)C7=CC=C(C=C7)N8CCCC8)C9=CC=C(C=C9)N1CCCC1

InChI

InChI=1S/C52H53N5O4/c58-51-47-35-46(57(59)60)25-26-50(47)52(61-51,36-48(38-9-17-42(18-10-38)53-27-1-2-28-53)39-11-19-43(20-12-39)54-29-3-4-30-54)37-49(40-13-21-44(22-14-40)55-31-5-6-32-55)41-15-23-45(24-16-41)56-33-7-8-34-56/h9-26,35-37H,1-8,27-34H2