(4-nitrophenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c22-18(28-12-13-1-4-15(5-2-13)20(23)24)14-3-6-16(17(11-14)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10,12H2