3-phenylpentan-2-yl 3,5-dinitrobenzoate

Systemtic Name: 3-phenylpentan-2-yl 3,5-dinitrobenzoate Openeye Name: (1-methyl-2-phenyl-butyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 3-phenylpentan-2-yl ester IUPAC Name: 3-phenylpentan-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1-methyl-2-phenyl-butyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-3-17(13-7-5-4-6-8-13)12(2)26-18(21)14-9-15(19(22)23)11-16(10-14)20(24)25/h4-12,17H,3H2,1-2H3