N-(6-nitro-1,3-benzothiazol-2-yl)-2-(2-prop-2-enylphenoxy)ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(2-prop-2-enylphenoxy)ethanamide Openeye Name: 2-(2-allylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(2-prop-2-enylphenoxy)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(2-prop-2-enylphenoxy)acetamide Traditional Name: 2-(2-allylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c1-2-5-12-6-3-4-7-15(12)25-11-17(22)20-18-19-14-9-8-13(21(23)24)10-16(14)26-18/h2-4,6-10H,1,5,11H2,(H,19,20,22)