2-methylpropyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-ethoxy-5-nitro-4-pyrimidinyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C17H20N4O5/c1-4-25-16-14(21(23)24)15(18-10-19-16)20-13-7-5-12(6-8-13)17(22)26-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)