butyl (9Z)-9-[(2-hydroxyphenyl)methylidene]-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: butyl (9Z)-9-[(2-hydroxyphenyl)methylidene]-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: butyl (9Z)-9-[(2-hydroxyphenyl)methylene]-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: (9Z)-9-[(2-hydroxyphenyl)methylidene]-2,5,7-trinitro-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl (9Z)-9-[(2-hydroxyphenyl)methylidene]-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: (9Z)-2,5,7-trinitro-9-salicylidene-fluorene-4-carboxylic acid butyl ester Formula: C25H19N3O9 MolecularWeight: 505.43306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=CC3=CC=CC=C3O)C4=CC(=CC(=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])/C(=C/C3=CC=CC=C3O)/C4=CC(=CC(=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O9/c1-2-3-8-37-25(30)20-12-15(26(31)32)10-18-17(9-14-6-4-5-7-22(14)29)19-11-16(27(33)34)13-21(28(35)36)24(19)23(18)20/h4-7,9-13,29H,2-3,8H2,1H3/b17-9-