1-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-phenyl]ethanone Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S/c1-13(24)15-8-11-19(18(12-15)23(25)26)27-16-9-6-14(7-10-16)21-22-17-4-2-3-5-20(17)28-21/h2-12H,1H3