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

Systemtic Name: methyl 2-[[6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(4-ethoxyanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(4-ethoxyanilino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-4-31-15-11-9-14(10-12-15)24-19-18(26(28)29)20(23-13-22-19)25(2)17-8-6-5-7-16(17)21(27)30-3/h5-13H,4H2,1-3H3,(H,22,23,24)