[(E)-3-phenylprop-2-enoyl] 2-azanyl-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoate

Systemtic Name: [(E)-3-phenylprop-2-enoyl] 2-azanyl-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoate Openeye Name: [(E)-3-phenylprop-2-enoyl] 2-amino-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoate CAS Name: 2-amino-3-[3-(2,4-dinitrophenyl)-4-imidazolyl]propanoic acid [(E)-1-oxo-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enoyl] 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 [(E)-3-phenylacryloyl] ester Formula: C21H17N5O7 MolecularWeight: 451.38898

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17N5O7/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/h1-9,11-13,17H,10,22H2/b9-6+