methyl 2-methyl-5-phenyl-spiro[1H-1,2,4,5-tetrazine-6,9'-fluorene]-3-carboxylate

Systemtic Name: methyl 2-methyl-5-phenyl-spiro[1H-1,2,4,5-tetrazine-6,9'-fluorene]-3-carboxylate Openeye Name: methyl 2-methyl-5-phenyl-spiro[1H-1,2,4,5-tetrazine-6,9'-fluorene]-3-carboxylate CAS Name: 2-methyl-5-phenyl-3-spiro[1H-1,2,4,5-tetrazine-6,9'-fluorene]carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-phenylspiro[1H-1,2,4,5-tetrazine-6,9'-fluorene]-3-carboxylate Traditional Name: 2-methyl-5-phenyl-spiro[1H-1,2,4,5-tetrazine-6,9'-fluorene]-3-carboxylic acid methyl ester Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C2(N1)C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C(=NN(C2(N1)C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C23H20N4O2/c1-26-21(22(28)29-2)24-27(16-10-4-3-5-11-16)23(25-26)19-14-8-6-12-17(19)18-13-7-9-15-20(18)23/h3-15,25H,1-2H3