[4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-acetyloxybenzoate

Systemtic Name: [4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-acetyloxybenzoate Openeye Name: [4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]phenyl] ester Formula: C22H21NO9 MolecularWeight: 443.40344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=CC(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C/C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C22H21NO9/c1-16(24)31-20-7-3-2-6-19(20)22(26)32-18-11-8-17(9-12-18)10-13-21(25)29-14-4-5-15-30-23(27)28/h2-3,6-13H,4-5,14-15H2,1H3/b13-10+