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

Systemtic Name: tert-butyl 5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-7-22-15(20)12(9-18)8-13-10(2)11(3)14(19-13)16(21)23-17(4,5)6/h8,19H,7H2,1-6H3/b12-8+