ethyl 3-[[6-[(4-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(4-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(p-anisidino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19N5O5/c1-3-30-20(26)13-5-4-6-15(11-13)24-19-17(25(27)28)18(21-12-22-19)23-14-7-9-16(29-2)10-8-14/h4-12H,3H2,1-2H3,(H2,21,22,23,24)