ethyl 2-[4-[(2-chloranylethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-3-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[4-[(2-chloranylethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-3-phenyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylate CAS Name: 2-[4-[[(2-chloro-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 1-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-3-keto-5-phenyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)NNC(=O)CCl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)NNC(=O)CCl)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN4O5/c1-2-31-21(30)17-18(13-6-4-3-5-7-13)26(25-20(17)29)15-10-8-14(9-11-15)19(28)24-23-16(27)12-22/h3-11H,2,12H2,1H3,(H,23,27)(H,24,28)(H,25,29)