2-morpholin-4-ylethyl 4-methyl-2-nitro-3-phenylmethoxy-benzoate

Systemtic Name: 2-morpholin-4-ylethyl 4-methyl-2-nitro-3-phenylmethoxy-benzoate Openeye Name: 2-morpholinoethyl 3-benzyloxy-4-methyl-2-nitro-benzoate CAS Name: 4-methyl-2-nitro-3-phenylmethoxybenzoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-methyl-2-nitro-benzoic acid 2-morpholinoethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OCCN2CCOCC2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OCCN2CCOCC2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O6/c1-16-7-8-18(21(24)28-14-11-22-9-12-27-13-10-22)19(23(25)26)20(16)29-15-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3