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

Systemtic Name: propan-2-yl 4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(4-chloro-3-nitro-benzoyl)amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-chloro-3-nitrobenzoyl)amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O5/c1-4-20-8-12(14(19-20)16(23)26-9(2)3)18-15(22)10-5-6-11(17)13(7-10)21(24)25/h5-9H,4H2,1-3H3,(H,18,22)