ethyl 5-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethanoyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethanoyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-[2-(allylamino)-2-oxo-acetyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[2-[1,2-dioxo-2-(prop-2-enylamino)ethyl]-1-pyrrolyl]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[2-(allylamino)-2-keto-acetyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NCC=C

InChI

InChI=1S/C21H20N4O4/c1-3-12-22-19(27)18(26)17-11-8-13-24(17)20-16(21(28)29-4-2)14-23-25(20)15-9-6-5-7-10-15/h3,5-11,13-14H,1,4,12H2,2H3,(H,22,27)