3-phenylpropanoyl 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(methylamino)propanoate

Systemtic Name: 3-phenylpropanoyl 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(methylamino)propanoate Openeye Name: 3-phenylpropanoyl 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(methylamino)propanoate CAS Name: 3-[1-(2,4-dinitrophenyl)-4-imidazolyl]-2-(methylamino)propanoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(methylamino)propanoate Traditional Name: 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(methylamino)propionic acid hydrocinnamoyl ester Formula: C22H21N5O7 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CNC(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O7/c1-23-18(22(29)34-21(28)10-7-15-5-3-2-4-6-15)11-16-13-25(14-24-16)19-9-8-17(26(30)31)12-20(19)27(32)33/h2-6,8-9,12-14,18,23H,7,10-11H2,1H3