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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-chloranyl-4-nitro-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-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-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C13H13ClN6O4 MolecularWeight: 352.73312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN6O4/c1-19(2)13-17-10(16-12(15)18-13)6-24-11(21)8-4-3-7(20(22)23)5-9(8)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18)