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

Systemtic Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)OCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OCC#N)C(=O)O

InChI

InChI=1S/C18H13NO4/c19-11-12-23-16-8-6-14(7-9-16)17(20)10-3-13-1-4-15(5-2-13)18(21)22/h1-10H,12H2,(H,21,22)/b10-3+