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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid phthalimidomethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c24-18-14-3-1-2-4-15(14)19(25)22(18)12-30-20(26)13-5-6-16(17(11-13)23(27)28)21-7-9-29-10-8-21/h1-6,11H,7-10,12H2