methyl 4-(morpholin-4-ylmethyl)-2-nitro-benzoate

Systemtic Name: methyl 4-(morpholin-4-ylmethyl)-2-nitro-benzoate Openeye Name: methyl 4-(morpholinomethyl)-2-nitro-benzoate CAS Name: 4-(4-morpholinylmethyl)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(morpholin-4-ylmethyl)-2-nitrobenzoate Traditional Name: 4-(morpholinomethyl)-2-nitro-benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-19-13(16)11-3-2-10(8-12(11)15(17)18)9-14-4-6-20-7-5-14/h2-3,8H,4-7,9H2,1H3