methyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(4-methoxyphenyl)-2-morpholino-ethyl]amino]-5-nitro-benzoate CAS Name: 2-[[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-(4-methoxyphenyl)-2-morpholino-ethyl]amino]-5-nitro-benzoic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)N3CCOCC3

InChI

InChI=1S/C21H25N3O6/c1-28-17-6-3-15(4-7-17)20(23-9-11-30-12-10-23)14-22-19-8-5-16(24(26)27)13-18(19)21(25)29-2/h3-8,13,20,22H,9-12,14H2,1-2H3