[(E)-4-nitro-5-phenanthren-9-yl-pent-4-enyl] ethanoate

Systemtic Name: [(E)-4-nitro-5-phenanthren-9-yl-pent-4-enyl] ethanoate Openeye Name: [(E)-4-nitro-5-(9-phenanthryl)pent-4-enyl] acetate CAS Name: acetic acid [(E)-4-nitro-5-(9-phenanthrenyl)pent-4-enyl] ester IUPAC Name: [(E)-4-nitro-5-phenanthren-9-ylpent-4-enyl] acetate Traditional Name: acetic acid [(E)-4-nitro-5-(9-phenanthryl)pent-4-enyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c1-15(23)26-12-6-8-18(22(24)25)14-17-13-16-7-2-3-9-19(16)21-11-5-4-10-20(17)21/h2-5,7,9-11,13-14H,6,8,12H2,1H3/b18-14+