[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-13(2)14-6-8-15(9-7-14)19-21-17(12-27-19)11-26-20(23)16-4-3-5-18(10-16)22(24)25/h3-10,12-13H,11H2,1-2H3