1-[3-[4-(diphenylmethyl)piperidin-1-yl]propoxy]-5,6-dinitro-cyclohexa-2,4-dien-1-ol

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperidin-1-yl]propoxy]-5,6-dinitro-cyclohexa-2,4-dien-1-ol Openeye Name: 1-[3-(4-benzhydryl-1-piperidyl)propoxy]-5,6-dinitro-cyclohexa-2,4-dien-1-ol CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperidinyl]propoxy]-5,6-dinitro-1-cyclohexa-2,4-dienol IUPAC Name: 1-[3-(4-benzhydrylpiperidin-1-yl)propoxy]-5,6-dinitrocyclohexa-2,4-dien-1-ol Traditional Name: 1-[3-(4-benzhydrylpiperidino)propoxy]-5,6-dinitro-cyclohexa-2,4-dien-1-ol Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4(C=CC=C(C4[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4(C=CC=C(C4[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C27H31N3O6/c31-27(16-7-13-24(29(32)33)26(27)30(34)35)36-20-8-17-28-18-14-23(15-19-28)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,16,23,25-26,31H,8,14-15,17-20H2