[(Z)-5-nitro-6-phenanthren-9-yl-hex-5-enyl] ethanoate

Systemtic Name: [(Z)-5-nitro-6-phenanthren-9-yl-hex-5-enyl] ethanoate Openeye Name: [(Z)-5-nitro-6-(9-phenanthryl)hex-5-enyl] acetate CAS Name: acetic acid [(Z)-5-nitro-6-(9-phenanthrenyl)hex-5-enyl] ester IUPAC Name: [(Z)-5-nitro-6-phenanthren-9-ylhex-5-enyl] acetate Traditional Name: acetic acid [(Z)-5-nitro-6-(9-phenanthryl)hex-5-enyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC(=CC1=CC2=CC=CC=C2C3=CC=CC=C31)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCC/C(=C/C1=CC2=CC=CC=C2C3=CC=CC=C31)/[N+](=O)[O-]

InChI

InChI=1S/C22H21NO4/c1-16(24)27-13-7-6-9-19(23(25)26)15-18-14-17-8-2-3-10-20(17)22-12-5-4-11-21(18)22/h2-5,8,10-12,14-15H,6-7,9,13H2,1H3/b19-15-