4-nitrooxybutyl 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanoate

Systemtic Name: 4-nitrooxybutyl 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanoate Openeye Name: 4-nitrooxybutyl 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate CAS Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate Traditional Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid 4-nitrooxybutyl ester Formula: C27H29ClN2O5 MolecularWeight: 496.98256

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=C(N2C1)CC(=O)OCCCCO[N+](=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(C(=C(N2C1)CC(=O)OCCCCO[N+](=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C27H29ClN2O5/c1-27(2)17-23-26(19-8-4-3-5-9-19)25(20-10-12-21(28)13-11-20)22(29(23)18-27)16-24(31)34-14-6-7-15-35-30(32)33/h3-5,8-13H,6-7,14-18H2,1-2H3