[(5E)-5-(3,5-dinitrophenyl)carbonyloxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(5E)-5-(3,5-dinitrophenyl)carbonyloxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1E)-1-(3,5-dinitrobenzoyl)oxyimino-7-methyl-tetralin-6-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(5E)-5-[(3,5-dinitrophenyl)-oxomethoxy]imino-3-methyl-7,8-dihydro-6H-naphthalen-2-yl] ester IUPAC Name: [(5E)-5-(3,5-dinitrobenzoyl)oxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1E)-1-(3,5-dinitrobenzoyl)oximino-7-methyl-tetralin-6-yl] ester Formula: C25H17N5O12 MolecularWeight: 579.42878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCCC(=NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C2=C1)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2CCC/C(=N\OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])/C2=C1)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H17N5O12/c1-13-5-21-14(10-23(13)41-24(31)15-6-17(27(33)34)11-18(7-15)28(35)36)3-2-4-22(21)26-42-25(32)16-8-19(29(37)38)12-20(9-16)30(39)40/h5-12H,2-4H2,1H3/b26-22+