[(Z)-4-nitro-5-phenanthren-9-yl-pent-4-enyl] benzoate

Systemtic Name: [(Z)-4-nitro-5-phenanthren-9-yl-pent-4-enyl] benzoate Openeye Name: [(Z)-4-nitro-5-(9-phenanthryl)pent-4-enyl] benzoate CAS Name: benzoic acid [(Z)-4-nitro-5-(9-phenanthrenyl)pent-4-enyl] ester IUPAC Name: [(Z)-4-nitro-5-phenanthren-9-ylpent-4-enyl] benzoate Traditional Name: benzoic acid [(Z)-4-nitro-5-(9-phenanthryl)pent-4-enyl] ester Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCC(=CC2=CC3=CC=CC=C3C4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC/C(=C/C2=CC3=CC=CC=C3C4=CC=CC=C42)/[N+](=O)[O-]

InChI

InChI=1S/C26H21NO4/c28-26(19-9-2-1-3-10-19)31-16-8-12-22(27(29)30)18-21-17-20-11-4-5-13-23(20)25-15-7-6-14-24(21)25/h1-7,9-11,13-15,17-18H,8,12,16H2/b22-18-