(4,5-dimethoxy-2-methyl-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-14-10-19(27-2)20(28-3)12-16(14)13-30-21(24)15-4-5-17(18(11-15)23(25)26)22-6-8-29-9-7-22/h4-5,10-12H,6-9,13H2,1-3H3