4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O8/c1-29-17-11-15(16(23(27)28)12-18(17)30-2)21(26)31-10-6-5-9-22-19(24)13-7-3-4-8-14(13)20(22)25/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3