(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-nitrophenyl)acrylamide Formula: C17H13N3O3S MolecularWeight: 339.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S/c21-16(9-8-12-4-3-5-13(10-12)20(22)23)18-11-17-19-14-6-1-2-7-15(14)24-17/h1-10H,11H2,(H,18,21)/b9-8+