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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H16N6O6 MolecularWeight: 364.31344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)N)N)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)N)N)[N+](=O)[O-])OC

InChI

InChI=1S/C14H16N6O6/c1-3-25-10-4-7(8(20(22)23)5-9(10)24-2)12(21)26-6-11-17-13(15)19-14(16)18-11/h4-5H,3,6H2,1-2H3,(H4,15,16,17,18,19)