ethyl 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-chloro-4-nitro-benzoyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-(4,6-dimethyl-2-pyrimidinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-4-nitrobenzoyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H17ClN6O5 MolecularWeight: 444.82848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN6O5/c1-4-31-18(28)14-9-21-25(19-22-10(2)7-11(3)23-19)16(14)24-17(27)13-6-5-12(26(29)30)8-15(13)20/h5-9H,4H2,1-3H3,(H,24,27)