2-(4-methylcyclohex-3-en-1-yl)propyl 3,5-dinitrobenzoate

Systemtic Name: 2-(4-methylcyclohex-3-en-1-yl)propyl 3,5-dinitrobenzoate Openeye Name: 2-(4-methylcyclohex-3-en-1-yl)propyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(4-methyl-1-cyclohex-3-enyl)propyl ester IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(4-methylcyclohex-3-en-1-yl)propyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(C)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CCC(CC1)C(C)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O6/c1-11-3-5-13(6-4-11)12(2)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3,7-9,12-13H,4-6,10H2,1-2H3