methyl 3-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O5/c1-34-25(31)18-6-5-7-20(14-18)26-23(30)15-19-16-28(21-8-3-2-4-9-21)27-24(19)17-10-12-22(13-11-17)29(32)33/h2-14,16H,15H2,1H3,(H,26,30)