propan-2-yl 3-(2-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)carbonylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[oxo-[4-(1-pyrazolyl)phenyl]methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[(4-pyrazol-1-ylbenzoyl)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=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

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