methyl 1-(4-bromophenyl)-6-oxidanylidene-5-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)-6-oxidanylidene-5-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylate Openeye Name: methyl 1-(4-bromophenyl)-6-oxo-5-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylate CAS Name: 1-(4-bromophenyl)-6-oxo-5-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)-6-oxo-5-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylate Traditional Name: 1-(4-bromophenyl)-6-keto-5-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylic acid methyl ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(C(=O)N(N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC(C(=O)N(N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C17H14BrN3O3/c1-24-17(23)15-19-14(11-5-3-2-4-6-11)16(22)21(20-15)13-9-7-12(18)8-10-13/h2-10,14H,1H3,(H,19,20)