[4-[[2-[(4-acetyloxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl] ethanoate

Systemtic Name: [4-[[2-[(4-acetyloxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl] ethanoate Openeye Name: [4-[[2-(4-acetoxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl] acetate CAS Name: acetic acid [4-[[2-(4-acetyloxyanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[[2-(4-acetyloxyanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]phenyl] acetate Traditional Name: acetic acid [4-[[2-(4-acetoxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl] ester Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C)NC3=CC=C(C=C3)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C)NC3=CC=C(C=C3)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6/c1-12-19(26(29)30)20(23-15-4-8-17(9-5-15)31-13(2)27)25-21(22-12)24-16-6-10-18(11-7-16)32-14(3)28/h4-11H,1-3H3,(H2,22,23,24,25)