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

Systemtic Name: methyl 2-[[6-[(3-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(3-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(3-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6/c1-3-32-20(27)13-7-6-8-14(11-13)24-18-17(26(29)30)19(23-12-22-18)25-16-10-5-4-9-15(16)21(28)31-2/h4-12H,3H2,1-2H3,(H2,22,23,24,25)