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

Systemtic Name: 2-[(E)-3-(3-chloranyl-4-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 2-[(E)-3-(3-chloro-4-nitro-phenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 2-[(E)-3-(3-chloro-4-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 2-[(E)-3-(3-chloro-4-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 2-[(E)-3-(3-chloro-4-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=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

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

InChI

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