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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C15H19N7O5 MolecularWeight: 377.35526

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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-])NCCO

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O5/c1-21(2)15-19-12(18-14(16)20-15)8-27-13(24)10-7-9(22(25)26)3-4-11(10)17-5-6-23/h3-4,7,17,23H,5-6,8H2,1-2H3,(H2,16,18,19,20)