(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2,4-dinitrophenyl)ethanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2,4-dinitrophenyl)ethanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-(2,4-dinitrophenyl)acetate CAS Name: 2-(2,4-dinitrophenyl)acetic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2,4-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitrophenyl)acetic acid (2-phenylthiazol-4-yl)methyl ester Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c22-17(8-13-6-7-15(20(23)24)9-16(13)21(25)26)27-10-14-11-28-18(19-14)12-4-2-1-3-5-12/h1-7,9,11H,8,10H2