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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-3-24(4-2)20-12-11-16(26(30)31)15-19(20)23(29)32-14-8-7-13-25-21(27)17-9-5-6-10-18(17)22(25)28/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3