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

Systemtic Name: methyl 2-[4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoylamino]benzoate Openeye Name: methyl 2-[4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoylamino]benzoate CAS Name: 2-[[4-[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoylamino]benzoate Traditional Name: 2-[4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoylamino]benzoic acid methyl ester Formula: C24H22N6O5 MolecularWeight: 474.46868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C=C(C(=N2)C3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C=C(C(=N2)C3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O5/c1-35-24(32)19-10-5-6-11-20(19)26-22(31)12-7-13-28-16-21(30(33)34)23(27-28)17-14-25-29(15-17)18-8-3-2-4-9-18/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,26,31)