cyclohexyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: cyclohexyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: cyclohexyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid cyclohexyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c20-17(24-14-4-2-1-3-5-14)13-6-7-15(16(12-13)19(21)22)18-8-10-23-11-9-18/h6-7,12,14H,1-5,8-11H2