ethyl 5-(2-cyano-3-cyclopropyl-3-oxidanylidene-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-cyano-3-cyclopropyl-3-oxidanylidene-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-cyano-3-cyclopropyl-3-oxo-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-(2-cyano-3-cyclopropyl-1,3-dioxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-cyano-3-cyclopropyl-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-cyano-3-cyclopropyl-3-keto-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C#N)C(=O)C2CC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C#N)C(=O)C2CC2)C

InChI

InChI=1S/C16H18N2O4/c1-4-22-16(21)12-8(2)13(18-9(12)3)15(20)11(7-17)14(19)10-5-6-10/h10-11,18H,4-6H2,1-3H3