methyl 4-[5-morpholin-4-yl-6-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: methyl 4-[5-morpholin-4-yl-6-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: methyl 4-(5-morpholino-6-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-[5-(4-morpholinyl)-6-nitro-1,3-dioxo-2-isoindolyl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-morpholin-4-yl-6-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-5-morpholino-6-nitro-isoindolin-2-yl)benzoic acid methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H17N3O7/c1-29-20(26)12-2-4-13(5-3-12)22-18(24)14-10-16(21-6-8-30-9-7-21)17(23(27)28)11-15(14)19(22)25/h2-5,10-11H,6-9H2,1H3