ethyl 2-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-chloro-3-nitro-benzoyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3,5-dimethyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-chloro-3-nitrobenzoyl)amino]-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-[(4-chloro-3-nitro-benzoyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetic acid ethyl ester Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

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