methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1,3-diphenyl-4-pyrazolyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-5-nitro-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)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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