2-[3-chloranyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1,3-benzothiazole

Systemtic Name: 2-[3-chloranyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1,3-benzothiazole Openeye Name: 2-[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1,3-benzothiazole CAS Name: 2-[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1,3-benzothiazole IUPAC Name: 2-[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1,3-benzothiazole Traditional Name: 2-[3-chloro-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-1,3-benzothiazole Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O4S/c1-27-18-11-14(21-23-17-7-2-3-8-19(17)29-21)10-16(22)20(18)28-12-13-5-4-6-15(9-13)24(25)26/h2-11H,12H2,1H3