methyl 3-nitro-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-[4-(1-pyrazolyl)phenyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-29-20(26)16-11-15(12-18(13-16)24(27)28)19(25)21-9-7-14-3-5-17(6-4-14)23-10-2-8-22-23/h2-6,8,10-13H,7,9H2,1H3,(H,21,25)