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

Systemtic Name: 4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-keto-prop-1-enyl]benzoic acid Formula: C16H10ClNO5 MolecularWeight: 331.7073

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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)/b8-3+