methyl 2-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O4/c1-11-9-12(2)23(21-11)17-15(24(26)27)16(19-10-20-17)22(3)14-8-6-5-7-13(14)18(25)28-4/h5-10H,1-4H3