4-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: 4-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: 4-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-cyanoethyl)-3-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carbonyl]amino]benzoate Formula: C20H14N5O5- MolecularWeight: 404.35566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)[O-])CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)[O-])CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O5/c21-10-1-11-24-12-17(18(23-24)13-4-8-16(9-5-13)25(29)30)19(26)22-15-6-2-14(3-7-15)20(27)28/h2-9,12H,1,11H2,(H,22,26)(H,27,28)/p-1