ethyl 1-[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]-3-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 1-[(E)-2-cyano-3-(dimethylamino)-1-oxoprop-2-enyl]-3-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]-3-methylpyrazole-4-carboxylate Traditional Name: 1-[(E)-2-cyano-3-(dimethylamino)acryloyl]-3-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C)C(=O)/C(=C/N(C)C)/C#N

InChI

InChI=1S/C13H16N4O3/c1-5-20-13(19)11-8-17(15-9(11)2)12(18)10(6-14)7-16(3)4/h7-8H,5H2,1-4H3/b10-7+