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

Systemtic Name: methyl 2-[2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H18N6O5 MolecularWeight: 446.41552

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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)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O5/c1-33-22(30)17-9-5-6-10-18(17)24-20(29)14-26-13-19(28(31)32)21(25-26)15-11-23-27(12-15)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,29)