propan-2-yl 3-(2-nitrophenyl)-3-[(1-phenylpyrazol-3-yl)carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[(1-phenylpyrazol-3-yl)carbonylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[(1-phenylpyrazole-3-carbonyl)amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[oxo-(1-phenyl-3-pyrazolyl)methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[(1-phenylpyrazole-3-carbonyl)amino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[(1-phenylpyrazole-3-carbonyl)amino]propionic acid isopropyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c1-15(2)31-21(27)14-19(17-10-6-7-11-20(17)26(29)30)23-22(28)18-12-13-25(24-18)16-8-4-3-5-9-16/h3-13,15,19H,14H2,1-2H3,(H,23,28)