ethyl 1-[4-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H17ClN4O5/c1-3-30-20(27)17-11-22-24(12(17)2)14-6-4-13(5-7-14)23-19(26)16-9-8-15(25(28)29)10-18(16)21/h4-11H,3H2,1-2H3,(H,23,26)