[6-[(3,5-dinitrophenyl)carbonyloxymethyl]cyclohex-3-en-1-yl]methyl 3,5-dinitrobenzoate

Systemtic Name: [6-[(3,5-dinitrophenyl)carbonyloxymethyl]cyclohex-3-en-1-yl]methyl 3,5-dinitrobenzoate Openeye Name: [6-[(3,5-dinitrobenzoyl)oxymethyl]cyclohex-3-en-1-yl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [6-[[(3,5-dinitrophenyl)-oxomethoxy]methyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-[(3,5-dinitrobenzoyl)oxymethyl]cyclohex-3-en-1-yl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [6-[(3,5-dinitrobenzoyl)oxymethyl]cyclohex-3-en-1-yl]methyl ester Formula: C22H18N4O12 MolecularWeight: 530.39792

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C=CCC(C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O12/c27-21(15-5-17(23(29)30)9-18(6-15)24(31)32)37-11-13-3-1-2-4-14(13)12-38-22(28)16-7-19(25(33)34)10-20(8-16)26(35)36/h1-2,5-10,13-14H,3-4,11-12H2