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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-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-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C14H17N7O4 MolecularWeight: 347.32928

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)N(C)C)N

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)N(C)C)N

InChI

InChI=1S/C14H17N7O4/c1-16-10-5-4-8(21(23)24)6-9(10)12(22)25-7-11-17-13(15)19-14(18-11)20(2)3/h4-6,16H,7H2,1-3H3,(H2,15,17,18,19)