methyl 2-[2-[4-nitro-3-[1-(phenylmethyl)pyrazol-4-yl]pyrazol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-nitro-3-[1-(phenylmethyl)pyrazol-4-yl]pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(1-benzylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-nitro-3-[1-(phenylmethyl)-4-pyrazolyl]-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(1-benzylpyrazol-4-yl)-4-nitropyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[3-(1-benzylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H20N6O5 MolecularWeight: 460.4421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O5/c1-34-23(31)18-9-5-6-10-19(18)25-21(30)15-28-14-20(29(32)33)22(26-28)17-11-24-27(13-17)12-16-7-3-2-4-8-16/h2-11,13-14H,12,15H2,1H3,(H,25,30)