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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-nitrobenzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O4S/c20-17(13-7-4-8-15(9-13)19(21)22)23-10-14-11-24-16(18-14)12-5-2-1-3-6-12/h1-9,11H,10H2