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

Systemtic Name: methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O4/c1-10-8-11(2)22(21-10)16-14(23(25)26)15(18-9-19-16)20-13-6-4-12(5-7-13)17(24)27-3/h4-9H,1-3H3,(H,18,19,20)