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

Systemtic Name: methyl 2-[[6-[(4-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-ethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-ethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-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=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

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