4-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-1-oxidanyl-ethyl]-2-methoxy-phenol

Systemtic Name: 4-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-1-oxidanyl-ethyl]-2-methoxy-phenol Openeye Name: 4-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-1-hydroxy-ethyl]-2-methoxy-phenol CAS Name: 4-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-hydroxyethyl]-2-methoxyphenol IUPAC Name: 4-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-1-hydroxyethyl]-2-methoxyphenol Traditional Name: 4-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-1-hydroxy-ethyl]-2-methoxy-phenol Formula: C19H18ClN5O5 MolecularWeight: 431.82972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O)O

InChI

InChI=1S/C19H18ClN5O5/c1-30-17-8-11(2-7-15(17)26)16(27)10-21-18-14(25(28)29)9-22-19(24-18)23-13-5-3-12(20)4-6-13/h2-9,16,26-27H,10H2,1H3,(H2,21,22,23,24)