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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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