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

Systemtic Name: methyl 2-[[6-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(4-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(4-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(4-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O6/c1-4-33-21(28)14-9-11-15(12-10-14)25-19-18(27(30)31)20(24-13-23-19)26(2)17-8-6-5-7-16(17)22(29)32-3/h5-13H,4H2,1-3H3,(H,23,24,25)