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

Systemtic Name: (2-propan-2-yl-1,3-thiazol-4-yl)methyl 4-nitrobenzoate Openeye Name: (2-isopropylthiazol-4-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-propan-2-yl-4-thiazolyl)methyl ester IUPAC Name: (2-propan-2-yl-1,3-thiazol-4-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-isopropylthiazol-4-yl)methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=CS1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-9(2)13-15-11(8-21-13)7-20-14(17)10-3-5-12(6-4-10)16(18)19/h3-6,8-9H,7H2,1-2H3