3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

Systemtic Name: 3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide Openeye Name: 3-(3-bromo-4-hydroxy-5-nitro-phenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide CAS Name: 3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyano-N-(4-hydroxyphenyl)-2-propenamide IUPAC Name: 3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide Traditional Name: 3-(3-bromo-4-hydroxy-5-nitro-phenyl)-2-cyano-N-(4-hydroxyphenyl)acrylamide Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C#N)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C#N)O

InChI

InChI=1S/C16H10BrN3O5/c17-13-6-9(7-14(15(13)22)20(24)25)5-10(8-18)16(23)19-11-1-3-12(21)4-2-11/h1-7,21-22H,(H,19,23)