ethyl 4-[[1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C23H21N5O6 MolecularWeight: 463.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])CCC#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C23H21N5O6/c1-3-34-23(30)15-5-8-17(9-6-15)25-22(29)18-14-27(12-4-11-24)26-21(18)16-7-10-20(33-2)19(13-16)28(31)32/h5-10,13-14H,3-4,12H2,1-2H3,(H,25,29)