methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)-2-nitro-benzoate

Systemtic Name: methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)-2-nitro-benzoate Openeye Name: methyl 4-methoxy-3-(3-morpholinopropoxy)-2-nitro-benzoate CAS Name: 4-methoxy-3-[3-(4-morpholinyl)propoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)-2-nitrobenzoate Traditional Name: 4-methoxy-3-(3-morpholinopropoxy)-2-nitro-benzoic acid methyl ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])OCCCN2CCOCC2

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])OCCCN2CCOCC2

InChI

InChI=1S/C16H22N2O7/c1-22-13-5-4-12(16(19)23-2)14(18(20)21)15(13)25-9-3-6-17-7-10-24-11-8-17/h4-5H,3,6-11H2,1-2H3