(E)-2-cyano-3-(1-methylpyrrol-3-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(1-methylpyrrol-3-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(1-methylpyrrol-3-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(1-methyl-3-pyrrolyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(1-methylpyrrol-3-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(1-methylpyrrol-3-yl)acrylic acid Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CN1C=CC(=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C9H8N2O2/c1-11-3-2-7(6-11)4-8(5-10)9(12)13/h2-4,6H,1H3,(H,12,13)/b8-4+