5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=C(N1)C(=O)O)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C(=C(N1)C(=O)O)C)C)/C#N

InChI

InChI=1S/C13H14N2O4/c1-4-19-13(18)9(6-14)5-10-7(2)8(3)11(15-10)12(16)17/h5,15H,4H2,1-3H3,(H,16,17)/b9-5+