4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-keto-prop-1-enyl]benzoate Formula: C16H9ClNO5- MolecularWeight: 330.69936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO5/c17-13-7-6-12(9-14(13)18(22)23)15(19)8-3-10-1-4-11(5-2-10)16(20)21/h1-9H,(H,20,21)/p-1/b8-3+