ethyl 5-[(E)-2-cyano-3-quinoxalin-2-yl-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-quinoxalin-2-yl-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-quinoxalin-2-yl-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-(2-quinoxalinyl)prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-quinoxalin-2-ylprop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-quinoxalin-2-yl-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=NC3=CC=CC=C3N=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=NC3=CC=CC=C3N=C2)/C#N)C

InChI

InChI=1S/C21H18N4O3/c1-4-28-21(27)18-12(2)19(24-13(18)3)20(26)14(10-22)9-15-11-23-16-7-5-6-8-17(16)25-15/h5-9,11,24H,4H2,1-3H3/b14-9+