(E)-3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

Systemtic Name: (E)-3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide CAS Name: (E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-cyano-N-(1-phenylethyl)-2-propenamide IUPAC Name: (E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-cyano-N-(1-phenylethyl)acrylamide Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=CC(=C2O)[N+](=O)[O-])Cl)/C#N

InChI

InChI=1S/C18H14ClN3O4/c1-11(12-5-3-2-4-6-12)21-18(24)14(10-20)7-13-8-15(19)9-16(17(13)23)22(25)26/h2-9,11,23H,1H3,(H,21,24)/b14-7+