2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl ester IUPAC Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(6-nitramido-2,4-dihydro-1H-s-triazin-3-yl)ethyl ester Formula: C12H14N6O6 MolecularWeight: 338.27616

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=NCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N[N+](=O)[O-]

Isomeric SMILES

C1NC(=NCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O6/c19-11(9-1-3-10(4-2-9)17(20)21)24-6-5-16-7-13-12(14-8-16)15-18(22)23/h1-4H,5-8H2,(H2,13,14,15)