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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-22(2)17-10-9-14(13-18(17)24(28)29)21(27)30-12-6-5-11-23-19(25)15-7-3-4-8-16(15)20(23)26/h3-4,7-10,13H,5-6,11-12H2,1-2H3