(E)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)acrylamide Formula: C16H10BrN3O3S MolecularWeight: 404.2379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O3S/c17-11-4-7-13-14(9-11)24-16(18-13)19-15(21)8-3-10-1-5-12(6-2-10)20(22)23/h1-9H,(H,18,19,21)/b8-3+