methyl (3E)-2-(phenylmethoxycarbonylamino)-3-(phthalazin-1-ylhydrazinylidene)propanoate

Systemtic Name: methyl (3E)-2-(phenylmethoxycarbonylamino)-3-(phthalazin-1-ylhydrazinylidene)propanoate Openeye Name: methyl (3E)-2-(benzyloxycarbonylamino)-3-(phthalazin-1-ylhydrazono)propanoate CAS Name: (3E)-2-(phenylmethoxycarbonylamino)-3-(1-phthalazinylhydrazinylidene)propanoic acid methyl ester IUPAC Name: methyl (3E)-2-(phenylmethoxycarbonylamino)-3-(phthalazin-1-ylhydrazinylidene)propanoate Traditional Name: (3E)-2-(benzyloxycarbonylamino)-3-(phthalazin-1-ylhydrazono)propionic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=NNC1=NN=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(/C=N/NC1=NN=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O4/c1-28-19(26)17(23-20(27)29-13-14-7-3-2-4-8-14)12-22-25-18-16-10-6-5-9-15(16)11-21-24-18/h2-12,17H,13H2,1H3,(H,23,27)(H,24,25)/b22-12+