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

Systemtic Name: 4-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4-methyl-3-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-methyl-3-nitrophenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(4-methyl-3-nitro-phenyl)prop-1-enyl]benzoic acid Formula: C17H13NO5 MolecularWeight: 311.28882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5/c1-11-2-6-14(10-15(11)18(22)23)16(19)9-5-12-3-7-13(8-4-12)17(20)21/h2-10H,1H3,(H,20,21)/b9-5+