ethyl 5-azanyl-1-[4-(prop-2-enylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(prop-2-enylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(allylcarbamoyl)phenyl]-5-amino-pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(prop-2-enylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(prop-2-enylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(allylcarbamoyl)phenyl]-5-amino-pyrazole-4-carboxylic acid ethyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-3-9-18-15(21)11-5-7-12(8-6-11)20-14(17)13(10-19-20)16(22)23-4-2/h3,5-8,10H,1,4,9,17H2,2H3,(H,18,21)