3-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-1-oxidanyl-ethyl]phenol

Systemtic Name: 3-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-1-oxidanyl-ethyl]phenol Openeye Name: 3-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-1-hydroxy-ethyl]phenol CAS Name: 3-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-hydroxyethyl]phenol IUPAC Name: 3-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-1-hydroxyethyl]phenol Traditional Name: 3-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-1-hydroxy-ethyl]phenol Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O4/c19-12-4-6-13(7-5-12)22-18-21-9-15(24(27)28)17(23-18)20-10-16(26)11-2-1-3-14(25)8-11/h1-9,16,25-26H,10H2,(H2,20,21,22,23)