(2-phenyl-1,3-thiazol-4-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S/c1-12-7-8-14(9-16(12)20(22)23)18(21)24-10-15-11-25-17(19-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3