N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxy-benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxy-benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxy-benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxy-benzamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-2-9-24-13-6-3-11(4-7-13)16(21)19-17-18-14-8-5-12(20(22)23)10-15(14)25-17/h3-8,10H,2,9H2,1H3,(H,18,19,21)