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

Systemtic Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl benzoate Openeye Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 2-(6-nitramido-2,4-dihydro-1H-s-triazin-3-yl)ethyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c18-11(10-4-2-1-3-5-10)21-7-6-16-8-13-12(14-9-16)15-17(19)20/h1-5H,6-9H2,(H2,13,14,15)