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

Systemtic Name: methyl 2-[[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl 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-])N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

InChI

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