[(Z)-3-nitro-4-phenanthren-9-yl-but-3-enyl] ethanoate

Systemtic Name: [(Z)-3-nitro-4-phenanthren-9-yl-but-3-enyl] ethanoate Openeye Name: [(Z)-3-nitro-4-(9-phenanthryl)but-3-enyl] acetate CAS Name: acetic acid [(Z)-3-nitro-4-(9-phenanthrenyl)but-3-enyl] ester IUPAC Name: [(Z)-3-nitro-4-phenanthren-9-ylbut-3-enyl] acetate Traditional Name: acetic acid [(Z)-3-nitro-4-(9-phenanthryl)but-3-enyl] ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO4/c1-14(22)25-11-10-17(21(23)24)13-16-12-15-6-2-3-7-18(15)20-9-5-4-8-19(16)20/h2-9,12-13H,10-11H2,1H3/b17-13-