(4-pyrazol-1-ylphenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c25-19(10-12-21-20(26)16-4-8-18(9-5-16)24(27)28)29-14-15-2-6-17(7-3-15)23-13-1-11-22-23/h1-9,11,13H,10,12,14H2,(H,21,26)