(4-propan-2-ylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-15(2)17-5-3-16(4-6-17)14-28-21(24)18-7-8-19(20(13-18)23(25)26)22-9-11-27-12-10-22/h3-8,13,15H,9-12,14H2,1-2H3