[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C16H18BrN3O4/c1-2-12(10-3-5-11(17)6-4-10)18-15(22)9-24-16(23)13-7-8-14(21)20-19-13/h3-6,12H,2,7-9H2,1H3,(H,18,22)(H,20,21)/t12-/m1/s1