ethyl (6S)-5-(4-chlorophenyl)-2-methyl-6-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: ethyl (6S)-5-(4-chlorophenyl)-2-methyl-6-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: ethyl (6S)-5-(4-chlorophenyl)-2-methyl-6-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: (6S)-5-(4-chlorophenyl)-2-methyl-6-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-5-(4-chlorophenyl)-2-methyl-6-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: (6S)-5-(4-chlorophenyl)-2-methyl-6-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Formula: C18H19ClN4O2 MolecularWeight: 358.82206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(NN1C)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN([C@H](NN1C)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O2/c1-3-25-18(24)17-21-23(15-11-9-14(19)10-12-15)16(20-22(17)2)13-7-5-4-6-8-13/h4-12,16,20H,3H2,1-2H3/t16-/m0/s1