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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-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 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4/c1-15(2,3)9-5-4-8(6-10(9)21(23)24)12(22)25-7-11-18-13(16)20-14(17)19-11/h4-6H,7H2,1-3H3,(H4,16,17,18,19,20)