(5-anthracen-9-yl-4-nitro-pent-4-enyl) ethanoate

Systemtic Name: (5-anthracen-9-yl-4-nitro-pent-4-enyl) ethanoate Openeye Name: [5-(9-anthryl)-4-nitro-pent-4-enyl] acetate CAS Name: acetic acid [5-(9-anthracenyl)-4-nitropent-4-enyl] ester IUPAC Name: (5-anthracen-9-yl-4-nitropent-4-enyl) acetate Traditional Name: acetic acid [5-(9-anthryl)-4-nitro-pent-4-enyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC(=CC1=C2C=CC=CC2=CC3=CC=CC=C31)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCC(=CC1=C2C=CC=CC2=CC3=CC=CC=C31)[N+](=O)[O-]

InChI

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