methyl 4-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2,3-dimethylanilino)-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:

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC)C

InChI

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