(E)-2-(4-chlorophenyl)carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(4-hydroxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-nitro-phenyl)acrylonitrile Formula: C16H9ClN2O4 MolecularWeight: 328.70666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N)Cl

InChI

InChI=1S/C16H9ClN2O4/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-15(20)14(8-10)19(22)23/h1-8,20H/b12-7+