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

Systemtic Name: ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4/c1-3-27-16(24)12-4-6-13(7-5-12)20-15-8-11(2)19-17(21-15)22-10-14(9-18-22)23(25)26/h4-10H,3H2,1-2H3,(H,19,20,21)