ethyl 2-[[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(3-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)OC

InChI

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