[2-(1,3-benzothiazol-2-yl)phenyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C21H14N2O5S MolecularWeight: 406.41126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c1-27-18-11-10-13(12-16(18)23(25)26)21(24)28-17-8-4-2-6-14(17)20-22-15-7-3-5-9-19(15)29-20/h2-12H,1H3