4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid 4-phthalimidobutyl ester Formula: C25H19ClN2O7 MolecularWeight: 494.88056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN2O7/c26-17-9-12-22(21(15-17)28(32)33)35-18-10-7-16(8-11-18)25(31)34-14-4-3-13-27-23(29)19-5-1-2-6-20(19)24(27)30/h1-2,5-12,15H,3-4,13-14H2