methyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-(1-pyrazolylmethyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-(pyrazol-1-ylmethyl)benzyl]carbamoyl]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)NCC2=CC=CC=C2CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2CN3C=CC=N3)[N+](=O)[O-]

InChI

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