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

Systemtic Name: (3-methylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: m-tolylmethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (3-methylbenzyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-14-3-2-4-15(11-14)13-26-19(22)16-5-6-17(18(12-16)21(23)24)20-7-9-25-10-8-20/h2-6,11-12H,7-10,13H2,1H3