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

Systemtic Name: ethyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C18H18N6O4/c1-4-28-18(25)13-5-7-14(8-6-13)21-16-15(24(26)27)17(20-10-19-16)23-12(3)9-11(2)22-23/h5-10H,4H2,1-3H3,(H,19,20,21)