(E)-2-cyano-3-[1-(phenylmethyl)pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[1-(phenylmethyl)pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-benzylpyrrol-2-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-(1-benzylpyrrol-2-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(1-benzylpyrrol-2-yl)-2-cyano-acrylic acid Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC=C2C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC=C2/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C15H12N2O2/c16-10-13(15(18)19)9-14-7-4-8-17(14)11-12-5-2-1-3-6-12/h1-9H,11H2,(H,18,19)/b13-9+