4-[[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]-2-methoxy-phenol Openeye Name: 4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]-2-methoxy-phenol CAS Name: 4-[[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]methyl]-2-methoxyphenol IUPAC Name: 4-[[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]methyl]-2-methoxyphenol Traditional Name: 4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]-2-methoxy-phenol Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O4/c1-28-16-8-11(2-7-15(16)25)9-20-17-14(24(26)27)10-21-18(23-17)22-13-5-3-12(19)4-6-13/h2-8,10,25H,9H2,1H3,(H2,20,21,22,23)