[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C17H21N7O5 MolecularWeight: 403.39254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H21N7O5/c1-22(2)17-20-14(19-16(18)21-17)10-29-15(25)12-9-11(24(26)27)3-4-13(12)23-5-7-28-8-6-23/h3-4,9H,5-8,10H2,1-2H3,(H2,18,19,20,21)