[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenyl] ester Formula: C21H13BrN2O5S MolecularWeight: 485.30732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrN2O5S/c1-28-17-11-13(20-23-16-4-2-3-5-18(16)30-20)10-15(22)19(17)29-21(25)12-6-8-14(9-7-12)24(26)27/h2-11H,1H3