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

Systemtic Name: (3-nitrophenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3-nitrophenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (3-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(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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