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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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