cycloheptyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: cycloheptyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: cycloheptyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid cycloheptyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c21-18(25-15-5-3-1-2-4-6-15)14-7-8-16(17(13-14)20(22)23)19-9-11-24-12-10-19/h7-8,13,15H,1-6,9-12H2