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

Systemtic Name: ethyl 5-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-chloro-5-nitro-benzoyl)amino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-nitrobenzoyl)amino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-benzoyl)amino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H11ClN4O5 MolecularWeight: 338.70324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O5/c1-2-23-13(20)9-6-15-17-11(9)16-12(19)8-5-7(18(21)22)3-4-10(8)14/h3-6H,2H2,1H3,(H2,15,16,17,19)