methyl 4-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N5O4/c1-3-13-6-4-5-7-16(13)24-19-17(25(27)28)18(21-12-22-19)23-15-10-8-14(9-11-15)20(26)29-2/h4-12H,3H2,1-2H3,(H2,21,22,23,24)