[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methyl-3-nitro-benzoate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S/c1-12-3-4-14(9-17(12)21(23)24)19(22)26-10-15-11-27-18(20-15)13-5-7-16(25-2)8-6-13/h3-9,11H,10H2,1-2H3