3-[[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-phenyl]amino]phenol

Systemtic Name: 3-[[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-phenyl]amino]phenol Openeye Name: 3-[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-anilino]phenol CAS Name: 3-[5-[4-(2-chlorophenyl)-1-piperazinyl]-2,4-dinitroanilino]phenol IUPAC Name: 3-[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]phenol Traditional Name: 3-[5-[4-(2-chlorophenyl)piperazino]-2,4-dinitro-anilino]phenol Formula: C22H20ClN5O5 MolecularWeight: 469.8777

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NC4=CC(=CC=C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NC4=CC(=CC=C4)O

InChI

InChI=1S/C22H20ClN5O5/c23-17-6-1-2-7-19(17)25-8-10-26(11-9-25)21-13-18(24-15-4-3-5-16(29)12-15)20(27(30)31)14-22(21)28(32)33/h1-7,12-14,24,29H,8-11H2