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

Systemtic Name: methyl 4-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-nitro-benzoate CAS Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-nitrobenzoate Traditional Name: 4-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methoxy]-3-nitro-benzoic acid methyl ester Formula: C14H16N6O5 MolecularWeight: 348.31404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O5/c1-19(2)14-17-11(16-13(15)18-14)7-25-10-5-4-8(12(21)24-3)6-9(10)20(22)23/h4-6H,7H2,1-3H3,(H2,15,16,17,18)