methyl 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitro-benzoate

Systemtic Name: methyl 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitro-benzoate Openeye Name: methyl 4-methoxy-5-(3-morpholinopropoxy)-2-nitro-benzoate CAS Name: 4-methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzoate Traditional Name: 4-methoxy-5-(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)[N+](=O)[O-])C(=O)OC)OCCCN2CCOCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-22-14-11-13(18(20)21)12(16(19)23-2)10-15(14)25-7-3-4-17-5-8-24-9-6-17/h10-11H,3-9H2,1-2H3