methyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-10-15(20(23)24)11(2)19(18-10)9-14(21)17-8-12-4-6-13(7-5-12)16(22)25-3/h4-7H,8-9H2,1-3H3,(H,17,21)