(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C24H30N2O5/c1-16-12-19(24(3,4)5)13-17(2)20(16)15-31-23(27)18-6-7-21(22(14-18)26(28)29)25-8-10-30-11-9-25/h6-7,12-14H,8-11,15H2,1-5H3