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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-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 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)N(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)N(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4/c1-8-6-9(4-5-10(8)20(22)23)12(21)24-7-11-16-13(15)18-14(17-11)19(2)3/h4-6H,7H2,1-3H3,(H2,15,16,17,18)