methyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H14N6O4/c1-10-7-14(19-12-5-3-11(4-6-12)15(23)26-2)20-16(18-10)21-9-13(8-17-21)22(24)25/h3-9H,1-2H3,(H,18,19,20)