ethyl 1-[3-[(4-chloranyl-2-nitro-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-chloranyl-2-nitro-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(4-chloro-2-nitro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-chloro-2-nitrobenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[(4-chloro-2-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(=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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