methyl (9Z)-2,5,7-trinitro-9-(phenylmethylidene)fluorene-4-carboxylate

Systemtic Name: methyl (9Z)-2,5,7-trinitro-9-(phenylmethylidene)fluorene-4-carboxylate Openeye Name: methyl (9Z)-9-benzylidene-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: (9Z)-2,5,7-trinitro-9-(phenylmethylene)-4-fluorenecarboxylic acid methyl ester IUPAC Name: methyl (9Z)-9-benzylidene-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: (9Z)-9-benzal-2,5,7-trinitro-fluorene-4-carboxylic acid methyl ester Formula: C22H13N3O8 MolecularWeight: 447.35392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=CC3=CC=CC=C3)C4=CC(=CC(=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])/C(=C/C3=CC=CC=C3)/C4=CC(=CC(=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O8/c1-33-22(26)18-10-13(23(27)28)8-16-15(7-12-5-3-2-4-6-12)17-9-14(24(29)30)11-19(25(31)32)21(17)20(16)18/h2-11H,1H3/b15-7-