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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c26-20-16-5-1-2-6-17(16)21(27)24(20)11-3-4-12-31-22(28)14-7-10-18(23-15-8-9-15)19(13-14)25(29)30/h1-2,5-7,10,13,15,23H,3-4,8-9,11-12H2