ethyl 4-[4-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[4-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoate Openeye Name: ethyl 4-[4-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoate CAS Name: 4-[[4-(5-cyano-2-methylphenoxy)-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-2-pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-cyano-2-methylphenoxy)-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-2-yl]oxybenzoate Traditional Name: 4-[4-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoic acid ethyl ester Formula: C25H23N5O8 MolecularWeight: 521.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=C(C=C2)C(=O)OCC)OC3=C(C=CC(=C3)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=C(C=C2)C(=O)OCC)OC3=C(C=CC(=C3)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O8/c1-4-35-20(31)14-27-22-21(30(33)34)23(38-19-12-16(13-26)7-6-15(19)3)29-25(28-22)37-18-10-8-17(9-11-18)24(32)36-5-2/h6-12H,4-5,14H2,1-3H3,(H,27,28,29)