(2-butan-2-ylphenyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-butan-2-ylphenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-sec-butylphenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-sec-butylphenyl) ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-3-15(2)17-6-4-5-7-20(17)28-21(24)16-8-9-18(19(14-16)23(25)26)22-10-12-27-13-11-22/h4-9,14-15H,3,10-13H2,1-2H3