(E)-3-(4-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)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)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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