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

Systemtic Name: 3-phenylpropanoyl 2-azanyl-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoate Openeye Name: 3-phenylpropanoyl 2-amino-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoate CAS Name: 2-amino-3-[3-(2,4-dinitrophenyl)-4-imidazolyl]propanoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 2-amino-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoate Traditional Name: 2-amino-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propionic acid hydrocinnamoyl ester Formula: C21H19N5O7 MolecularWeight: 453.40486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC(=O)C(CC2=CN=CN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC(=O)C(CC2=CN=CN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C21H19N5O7/c22-17(21(28)33-20(27)9-6-14-4-2-1-3-5-14)10-16-12-23-13-24(16)18-8-7-15(25(29)30)11-19(18)26(31)32/h1-5,7-8,11-13,17H,6,9-10,22H2