2-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-1,3-benzothiazole Openeye Name: 2-[(2-allyl-4-nitro-phenoxy)methyl]-1,3-benzothiazole CAS Name: 2-[(4-nitro-2-prop-2-enylphenoxy)methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-nitro-2-prop-2-enylphenoxy)methyl]-1,3-benzothiazole Traditional Name: 2-[(2-allyl-4-nitro-phenoxy)methyl]-1,3-benzothiazole Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O3S/c1-2-5-12-10-13(19(20)21)8-9-15(12)22-11-17-18-14-6-3-4-7-16(14)23-17/h2-4,6-10H,1,5,11H2