2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-4-nitro-phenol

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-4-nitro-phenol Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)-1-methyl-ethyl]-4-nitro-phenol CAS Name: 2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-4-nitrophenol IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-4-nitrophenol Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-1-methyl-ethyl]-4-nitro-phenol Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=CC(=C1)[N+](=O)[O-])O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C1=C(C=CC(=C1)[N+](=O)[O-])O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N2O3S/c1-16(2,11-9-10(18(20)21)7-8-13(11)19)15-17-12-5-3-4-6-14(12)22-15/h3-9,19H,1-2H3