4-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4-nitrophenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(4-nitrophenyl)prop-1-enyl]benzoic acid Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5/c18-15(12-6-8-14(9-7-12)17(21)22)10-3-11-1-4-13(5-2-11)16(19)20/h1-10H,(H,19,20)/b10-3+