dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate

Systemtic Name: dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate Openeye Name: dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate CAS Name: 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylate Traditional Name: 3-phenyl-6,7,8,8a-tetrahydro-5H-1,2,3,4-benzotetrazine-1,2-dicarboxylic acid dimethyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CCCCC2=NN(N1C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1C2CCCCC2=NN(N1C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O4/c1-23-15(21)18-14-11-7-6-10-13(14)17-19(20(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,14H,6-7,10-11H2,1-2H3