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

Systemtic Name: methyl 2-[[6-[(4-iodophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-iodoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-iodoanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H14IN5O4 MolecularWeight: 491.23933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

InChI=1S/C18H14IN5O4/c1-28-18(25)13-4-2-3-5-14(13)23-17-15(24(26)27)16(20-10-21-17)22-12-8-6-11(19)7-9-12/h2-10H,1H3,(H2,20,21,22,23)