2-[[6-(3-methoxyphenyl)-5-nitro-pyrimidin-4-yl]amino]-5-(trifluoromethyl)phenol

Systemtic Name: 2-[[6-(3-methoxyphenyl)-5-nitro-pyrimidin-4-yl]amino]-5-(trifluoromethyl)phenol Openeye Name: 2-[[6-(3-methoxyphenyl)-5-nitro-pyrimidin-4-yl]amino]-5-(trifluoromethyl)phenol CAS Name: 2-[[6-(3-methoxyphenyl)-5-nitro-4-pyrimidinyl]amino]-5-(trifluoromethyl)phenol IUPAC Name: 2-[[6-(3-methoxyphenyl)-5-nitropyrimidin-4-yl]amino]-5-(trifluoromethyl)phenol Traditional Name: 2-[[6-(3-methoxyphenyl)-5-nitro-pyrimidin-4-yl]amino]-5-(trifluoromethyl)phenol Formula: C18H13F3N4O4 MolecularWeight: 406.31543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N4O4/c1-29-12-4-2-3-10(7-12)15-16(25(27)28)17(23-9-22-15)24-13-6-5-11(8-14(13)26)18(19,20)21/h2-9,26H,1H3,(H,22,23,24)