ethyl 5-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-chloro-3,5-dinitro-benzoyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3,5-dinitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(4-chloro-3,5-dinitro-benzoyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H14ClN5O7 MolecularWeight: 459.79676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN5O7/c1-2-32-19(27)13-10-21-23(12-6-4-3-5-7-12)17(13)22-18(26)11-8-14(24(28)29)16(20)15(9-11)25(30)31/h3-10H,2H2,1H3,(H,22,26)