ethyl 5-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/C(=O)NC(C)C)C

InChI

InChI=1S/C16H21N3O3/c1-6-22-16(21)14-10(4)13(19-11(14)5)7-12(8-17)15(20)18-9(2)3/h7,9,19H,6H2,1-5H3,(H,18,20)/b12-7+