propan-2-yl 4-(hydroxymethyl)-3,5-dinitro-benzoate

Systemtic Name: propan-2-yl 4-(hydroxymethyl)-3,5-dinitro-benzoate Openeye Name: isopropyl 4-(hydroxymethyl)-3,5-dinitro-benzoate CAS Name: 4-(hydroxymethyl)-3,5-dinitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(hydroxymethyl)-3,5-dinitrobenzoate Traditional Name: 4-methylol-3,5-dinitro-benzoic acid isopropyl ester Formula: C11H12N2O7 MolecularWeight: 284.22218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])CO)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])CO)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O7/c1-6(2)20-11(15)7-3-9(12(16)17)8(5-14)10(4-7)13(18)19/h3-4,6,14H,5H2,1-2H3