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

Systemtic Name: methyl 4-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN(C)CC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN(C)CC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-11-15(20(22)23)12(2)19(17-11)10-18(3)9-13-5-7-14(8-6-13)16(21)24-4/h5-8H,9-10H2,1-4H3