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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N2O8/c1-3-31-19-12-16(17(24(28)29)13-18(19)30-2)22(27)32-11-7-6-10-23-20(25)14-8-4-5-9-15(14)21(23)26/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3