(5-ethanoyl-2-methoxy-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-14(24)15-4-6-20(28-2)17(11-15)13-30-21(25)16-3-5-18(19(12-16)23(26)27)22-7-9-29-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3