methyl 2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(6-morpholino-3-pyridyl)methylamino]-5-nitro-benzoate CAS Name: 2-[[6-(4-morpholinyl)-3-pyridinyl]methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(6-morpholino-3-pyridyl)methylamino]-5-nitro-benzoic acid methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H20N4O5/c1-26-18(23)15-10-14(22(24)25)3-4-16(15)19-11-13-2-5-17(20-12-13)21-6-8-27-9-7-21/h2-5,10,12,19H,6-9,11H2,1H3