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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+