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

Systemtic Name: methyl 2-[[6-[ethyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(N-ethylanilino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-4-25(15-10-6-5-7-11-15)20-18(26(28)29)19(22-14-23-20)24(2)17-13-9-8-12-16(17)21(27)30-3/h5-14H,4H2,1-3H3