2-chloranylbenzenecarbonitrile; (E)-3-(2-cyanophenyl)prop-2-enoic acid

Systemtic Name: 2-chloranylbenzenecarbonitrile; (E)-3-(2-cyanophenyl)prop-2-enoic acid Openeye Name: 2-chlorobenzonitrile; (E)-3-(2-cyanophenyl)prop-2-enoic acid CAS Name: 2-chlorobenzonitrile; (E)-3-(2-cyanophenyl)-2-propenoic acid IUPAC Name: 2-chlorobenzonitrile; (E)-3-(2-cyanophenyl)prop-2-enoic acid Traditional Name: 2-chlorobenzonitrile; (E)-3-(2-cyanophenyl)acrylic acid Formula: C17H11ClN2O2 MolecularWeight: 310.73444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)O)C#N.C1=CC=C(C(=C1)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)O)C#N.C1=CC=C(C(=C1)C#N)Cl

InChI

InChI=1S/C10H7NO2.C7H4ClN/c11-7-9-4-2-1-3-8(9)5-6-10(12)13;8-7-4-2-1-3-6(7)5-9/h1-6H,(H,12,13);1-4H/b6-5+;