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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C16H9ClN4O5S MolecularWeight: 404.78446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN4O5S/c17-11-4-1-9(7-13(11)21(25)26)2-6-15(22)19-16-18-12-5-3-10(20(23)24)8-14(12)27-16/h1-8H,(H,18,19,22)/b6-2+