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

Systemtic Name: methyl 2-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[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=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC)C

InChI

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