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

Systemtic Name: ethyl 3-[[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C22H23N5O4/c1-4-26(18-11-6-8-15(3)12-18)21-19(27(29)30)20(23-14-24-21)25-17-10-7-9-16(13-17)22(28)31-5-2/h6-14H,4-5H2,1-3H3,(H,23,24,25)